Spark™

Accelerate molecular discovery with Cresset's best-in-class scaffold hopping and bioisosteric replacement technology

Find novel chemistries through innovative scaffold hopping and bioisosteric replacement

Customers say Spark is the best scaffold hopping software they have ever used. Spark can match the nature of your molecules better than any other tool by working in electrostatic and shape space. In this way, you can generate diverse, non-obvious bioisostere ideas for your drug discovery projects starting from fragments of real molecules.

Try Spark™ for yourself

Chemical creativity starts here

With Spark, you can find the freedom to operate even in congested IP spaces, avoiding patent-related issues or expanding your own IP. Spark accelerates lead optimization and reduces the risk of late-stage attrition by finding replacements of functional groups that are important for binding, but problematic in terms of ADMET properties.

Generate highly innovative ideas for your project

Escape IP and ADMET traps

Find the freedom to operate even in congested IP spaces, avoiding patent-related issues or expanding your own IP

Reduce the risk of late-stage attrition

Accelerate lead optimization and reduce the risk of late-stage attrition by finding replacements of functional groups that are important for binding, but problematic in terms of ADMET properties

Explore Spark's capabilities to find novel molecules

Ligand Growing
Pick additional interactions from the active site of your protein
Ligand Linking and Joining
Find linkers from real chemistry to join two ligands
Macrocyclization
Drug difficult binding pockets using ligand macrocyclization
R-Group replacement
Find novel, biologically relevant R-Groups for your molecules
Scaffold Hopping
Find novel cores and scaffolds for your molecule discovery projects
Water Replacement
Pick up additional ligand-protein interactions by displacing crystallographic waters

What our customers say

See our software in action - scientific resources

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