⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19685355 | 0.76 | PDE2A (0.31) | — | |
| SCHEMBL25523664 | 0.71 | TRIM58 (0.34) | — | |
| SCHEMBL24879350 | 0.70 | — | — | |
| SCHEMBL24591151 | 0.64 | RRM2 (0.50) | — | |
| SCHEMBL19117763 | 0.64 | — | — | |
| SCHEMBL22607441 | 0.63 | — | — | |
| SCHEMBL15268017 | 0.63 | HTR3A (0.39) | — | |
| SCHEMBL4585312 | 0.62 | CCR1 (0.43) | — | |
| SCHEMBL24139988 | 0.62 | ADRA1D (0.35) | — | |
| SCHEMBL21012762 | 0.62 | TYR (0.37) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230227466-A1 | SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC | 2023-07-20 | — | — | US | disclosed |