⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23509325 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL23509324 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL22520375 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL7401284 | 0.75 | USP2 (0.45) | — | |
| SCHEMBL23509298 | 0.75 | PTPN11 (0.36) | — | |
| SCHEMBL21776041 | 0.73 | — | — | |
| SCHEMBL22049968 | 0.70 | CYP2D6 (0.44) | — | |
| SCHEMBL21776138 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL21776107 | 0.68 | — | — | |
| SCHEMBL24308682 | 0.66 | CYP2D6 (0.31) | — |
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-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |