⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16708768 | 0.73 | — | — | |
| SCHEMBL15730452 | 0.69 | DRD4 (0.33) | — | |
| SCHEMBL12062375 | 0.69 | DRD4 (0.33) | — | |
| SCHEMBL13763200 | 0.69 | DRD4 (0.33) | — | |
| SCHEMBL490276 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL15211847 | 0.68 | — | — | |
| SCHEMBL31314870 | 0.68 | OPRM1 (0.44) | — | |
| SCHEMBL14409817 | 0.67 | HSD17B10 (0.30) | — | |
| SCHEMBL13763226 | 0.67 | CYP2D6 (0.35) | — | |
| SCHEMBL16980429 | 0.67 | CYP2D6 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116902-A1 | SOS1 INHIBITOR | 北京望实智慧科技有限公司 | 2023-06-29 | — | — | WO | disclosed |