CHEMriya Space Update: 55 Billion Molecules Unlocking New Frontiers in Drug Discovery!

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CHEMriya Space Update: 55 Billion Molecules Unlocking New Frontiers in Drug Discovery!

March 13, 2025 14:00 CET

We are excited to announce a major update to OTAVA’s CHEMriya Chemical Space, now featuring 55 billion accessible molecules built upon 323 in-house reactions. With the March 2025 update, several new reactions have been added to the chemistry portfolio, expanding the space by over 43 billion novel molecules. This significant growth enhances chemical diversity, unlocking new possibilities for hit identification, lead expansion, and scaffold hopping.

 

Key Highlights Expanding the Reach of the CHEMriya Space

  • Several multi-component and ring-closure reactions have been incorporated, further broadening the range of molecular scaffolds available for exploration. These new additions significantly expand the search horizon of infiniSee, allowing researchers to explore previously untapped areas of tangible molecules.

  • Beyond Rule of Five (bRo5) compounds are a key component of CHEMriya™, allowing researchers to explore non-traditional drug-like Chemical Spaces, which are particularly useful for targeting large, complex biomolecules.

  • Synthesis-Ready Compounds – All molecules within CHEMriya™ are synthetically accessible, ensuring reliable synthesis paths.
  • A high synthesis success rate of over 90% ensures that identified compounds can be reliably synthesized, accelerating hit validation and lead optimization.

  • Compounds can be synthesized and delivered within 4 to 8 weeks, significantly reducing lead times in research workflows.

  • An exclusive six-month intellectual property reservation on ordered compounds provides researchers with a competitive edge in drug discovery.

… and much more!

 

Exploration with BioSolveIT Tools

CHEMriya™ is fully integrated into BioSolveIT’s computational ecosystem, providing researchers with:

  • Ultra-fast Chemical Space exploration through infiniSee, enabling rapid identification of promising scaffolds.

  • Structure-based virtual screening with SeeSAR’s Chemical Space Docking™, providing a target-focused approach for lead discovery.

With this expansion, CHEMriya™ continues to be one of the most extensive and synthetically viable Chemical Spaces available today. By combining scale, diversity, and accessibility, OTAVA and BioSolveIT provide researchers with high-quality, synthesis-ready molecular candidates to accelerate the drug discovery pipeline.

Learn more about the CHEMriya™ update here: CHEMriya Chemical Space