⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13226373 | 1.00 | — | — | |
| SCHEMBL2885312 | 0.92 | CYP1A2 (0.38) | — | |
| SCHEMBL23219663 | 0.77 | CHRNB4 (0.33) | — | |
| SCHEMBL12584042 | 0.75 | HTR2A (0.31) | — | |
| SCHEMBL6823815 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL28330455 | 0.72 | — | — | |
| SCHEMBL25872886 | 0.70 | LMNA (0.35) | — | |
| SCHEMBL2351005 | 0.69 | DPP4 (0.33) | — | |
| SCHEMBL25872872 | 0.69 | — | — | |
| SCHEMBL21400923 | 0.69 | SIGMAR1 (0.36) | — |
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-2018121766-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITION, AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2018-07-05 | — | — | WO | disclosed |