It’s important to lay strong foundations for successful drug discovery at this first stage of the process. Our integrated target identification and validation platform combines AI with expert insights, and rigorous lab validation to guide targets through robust evaluation, ready for hit discovery.
Validated, high-quality hits, delivered through integrated technologies and expert collaboration, give you a confident starting point for faster drug discovery.
Turning promising leads into clinical candidates with speed, precision, and the scientific expertise to generate high-quality data and deliver real patient impact.
Discover precise insights into brain neurochemistry with Sygnature Discovery's in vivo microdialysis and cOFM services. With over 20 years of expertise, we design bespoke studies that reveal how compounds modulate neurotransmitter systems in health and disease. Using UHPLC/HPLC with electrochemical detection or mass spectrometry, we deliver robust PK/PD data to support confident CNS decision making.
Delivering integrated, modality-agnostic drug discovery to tackle complex biology, accelerate development, and advance innovative therapies with confidence.
Advancing next-generation ADCs through payload-focused design, integrated expertise, and collaborative innovation to deliver safer, more selective therapies.
Driving biologics innovation through integrated design, structural biology, and multidisciplinary expertise to accelerate next-generation therapies from concept to clinic.
Combining deep therapeutic expertise with translational insight to design strategies, reduce risk, and accelerate discovery programs toward clinical success.
Accelerating oncology drug discovery through integrated expertise, innovative modalities, and translational insight to deliver candidates with real clinical impact.
Driving immunology and inflammation drug discovery through tailored assays, translational models, and integrated expertise for faster clinical success.
Advancing CNS drug discovery through integrated models, translational biomarkers, and multidisciplinary expertise to overcome complexity and accelerate therapeutic innovation.
Designing and advancing differentiated small-molecule therapies for obesity and diabetes through integrated expertise, mechanistic insight, and translational strategies.
Inobrodib, an exciting, first-in-class oral anti-cancer drug in clinical development by CellCentric, was collaboratively designed, synthesised and supported on its pre-clinical journey by an integrated project team at Sygnature Discovery. Inobrodib is now showing promising results in Phase I and II trials for multiple myeloma and other cancer types.
It’s important to lay strong foundations for successful drug discovery at this first stage of the process. Our integrated target identification and validation platform combines AI with expert insights, and rigorous lab validation to guide targets through robust evaluation, ready for hit discovery.
Validated, high-quality hits, delivered through integrated technologies and expert collaboration, give you a confident starting point for faster drug discovery.
Turning promising leads into clinical candidates with speed, precision, and the scientific expertise to generate high-quality data and deliver real patient impact.
Delivering integrated, modality-agnostic drug discovery to tackle complex biology, accelerate development, and advance innovative therapies with confidence.
Advancing next-generation ADCs through payload-focused design, integrated expertise, and collaborative innovation to deliver safer, more selective therapies.
Driving biologics innovation through integrated design, structural biology, and multidisciplinary expertise to accelerate next-generation therapies from concept to clinic.
Combining deep therapeutic expertise with translational insight to design strategies, reduce risk, and accelerate discovery programs toward clinical success.
Accelerating oncology drug discovery through integrated expertise, innovative modalities, and translational insight to deliver candidates with real clinical impact.
Driving immunology and inflammation drug discovery through tailored assays, translational models, and integrated expertise for faster clinical success.
Advancing CNS drug discovery through integrated models, translational biomarkers, and multidisciplinary expertise to overcome complexity and accelerate therapeutic innovation.
Designing and advancing differentiated small-molecule therapies for obesity and diabetes through integrated expertise, mechanistic insight, and translational strategies.
Inobrodib, an exciting, first-in-class oral anti-cancer drug in clinical development by CellCentric, was collaboratively designed, synthesised and supported on its pre-clinical journey by an integrated project team at Sygnature Discovery. Inobrodib is now showing promising results in Phase I and II trials for multiple myeloma and other cancer types.
By combining advanced computational techniques with early-stage chemistry expertise, we design synthesis-ready compound libraries that speed up hit discovery, give you a competitive edge in novelty, and help you move from concepts to viable leads more efficiently.
Library screening is a crucial step in drug discovery, enabling the rapid identification of promising compounds and accelerating the transition from ideas to validated hits.
Our proprietary 8-million-compound in silico library is optimized for high-through put virtual screening and real-world synthesis.
Every library entry is carefully curated using strict physicochemical property filters and excludes compounds with unsuitable functionalities from commercial sources, ensuring synthetic feasibility and drug-like properties. This strategic approach accelerates synthesis in our High Throughput Chemistry (HTC) lab, enabling rapid Structure-Activity Relationship (SAR) investigations across multiple discovery phases and paving the way for innovative structures in lead optimization. For projects requiring novelty, we design custom libraries enriched for specific target classes and IP-space coverage, helping you explore chemical space strategically and gain a competitive edge.
Methods for Compound Library Design :
We use in silico approaches to design focused arrays of compounds for parallel synthesis. Starting with curated reagent sets, we enumerate compounds accessible through current chemistry and prioritize them for synthesis using:
– Clustering
– Filtering based on desired properties
– Docking sores
– Pharmacophore fit
We can also design libraries to cover intellectual property space, giving you an edge in novelty and patentability.
Our Library Design Services
Designing Diverse, High-Quality Compound Libraries to Accelerate Discovery
in vitro and in silico Screening
For more targeted compound library design, we provide specialized project-specific libraries for both in vitro and in silico screening. These libraries are enriched with chemotypes likely to show activity against selected target classes, as well as compounds with the desired properties and functionalities for your program.
Virtual Screening and Scaffold Hopping
Our significant contribution to the European Lead Factory (ELF) includes a library of novel cores synthesized in-house. These cores provide distinct, synthetically feasible starting points for virtual screening or scaffold hopping.
We apply physicochemical property filters, fingerprint clustering, and diversity analysis to curate and enhance our proprietary fragment library, ensuring high quality for fragment-based approaches.
Series Identifications for Clustering and Profiling
Computational chemistry supports hit finding by analyzing in vitro screening results, identifying promising series for progression through clustering and profiling.
Key Benefits
Partnering with Sygnature for library design gives you accelerated hit discovery, high-quality and diverse libraries optimized for synthetic feasibility, and customized, project-specific solutions that enhance novelty, target-class relevance, and IP-space coverage.
Accelerated Hit Discovery
Our optimised propriety libraries, combined with HTC’s rapid synthesis capabilities, shorten timelines for identifying and validating promising compounds.
Enhanced Diversity and Quality
We apply stringent physicochemical filters and diversity analysis, ensuring libraries are not only broad but synthetically feasible: Designing libraries that translate efficiently into viable leads.
Customized Solutions
Unlike generic libraries, our project-specific designs incorporate IP-space coverage and target-class enrichment, giving clients a competitive edge in novelty and patentability.
In drug discovery, generating targets is no longer the challenge.
The real question is how to identify the few worth investing months of research and significant resources to pursue.
Hear expert perspectives on how AI, pathway analysis and scientific expertise are shaping modern target identification.
Molecular glues are transforming targeted protein degradation but optimization remains complex and resource-intensive. This poster presents an integrated computational chemistry workflow combining generative AI and physics-based modelling to enable faster, more rational molecular glue design and prioritization.
An ontology‑driven, LLM‑enabled platform for extracting and structuring assayability evidence from biomedical literature High…
Posters
FAQs
Our 8-million-compound library is curated for diversity and synthetic feasibility, enabling efficient virtual screening and SAR studies. We apply rigorous physicochemical property filters and eliminate compounds with problematic functionalities, ensuring every entry is synthetically feasible and relevant to drug-like space. This ensures your virtual screening campaigns start with a library that is both diverse and practical, reducing wasted computational effort and accelerating hit identification.
Yes. We specialize in creating project-specific libraries enriched with chemotypes predicted to interact with your target class. Using advanced computational techniques such as pharmacophore modelling, docking, and clustering, we tailor libraries to maximize relevance and novelty. This targeted approach helps you explore chemical space strategically, improving the likelihood of discovering differentiated hits .
Our design process starts with curated reagent sets and applies synthetic accessibility filters, ensuring compounds can be made with current chemistry. By prioritizing compounds through docking scores, clustering, and property-based filtering, we deliver libraries that are innovative and practical for rapid synthesis in our High Throughput Chemistry lab, minimizing delays and enabling faster SAR cycles.
Related Solutions
We bring together a dynamic blend of new talent and experienced pharmaceutical industry experts from a round the world, delivering excellence across every stage of discovery.
Automated high-throughput chemistry delivering rapid, high-quality compound libraries enabling efficient SAR exploration and faster progression from concept to candidate.
From high -quality starting points to optimized leads, we unite fragment screening, structural biology, computational chemistry and medicinal chemistry to keep your program moving forward .
Delivering validated, high-quality hits through integrated technologies, strategic insight, and expert collaboration to advance your program with confidence.
Integrated hit identification using HTS, fragment screening, and advanced automation delivering high-quality starting points for successful drug discovery.
Our Computer Aided Drug Design (CADD) capabilities combine deep scientific expertise with advanced AI, machine learning, and informatics infrastructure to support smarter, faster decision-making across the drug discovery pipeline.
