⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23264169 | 0.91 | USP1 (0.33) | — | |
| SCHEMBL25718292 | 0.79 | — | — | |
| SCHEMBL21998817 | 0.72 | SOD3 (0.32) | — | |
| SCHEMBL25517543 | 0.71 | HTR2C (0.33) | — | |
| SCHEMBL19705565 | 0.71 | HTR2C (0.33) | — | |
| SCHEMBL10025680 | 0.69 | ADRB1 (0.33) | — | |
| SCHEMBL27800792 | 0.68 | — | — | |
| SCHEMBL23264140 | 0.68 | USP1 (0.30) | — | |
| SCHEMBL14962429 | 0.68 | — | — | |
| SCHEMBL25463483 | 0.68 | ALDH1A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11787813-B2 | Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors | KSQ Therapeutics, Inc. (US) | 2023-10-17 | — | — | US | disclosed |
| US-20230203046-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS | KSQ Therapeutics, Inc. | 2023-06-29 | — | — | US | disclosed |