⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29548866 | 0.80 | — | — | |
| SCHEMBL29548540 | 0.75 | RET (0.39) | — | |
| SCHEMBL29548544 | 0.68 | — | — | |
| SCHEMBL29548516 | 0.67 | — | — | |
| SCHEMBL29548138 | 0.62 | CAMKK1 (0.34) | — | |
| SCHEMBL29548310 | 0.59 | DRD2 (0.39) | — | |
| SCHEMBL29640802 | 0.54 | CYP11B1 (0.49) | — | |
| SCHEMBL3386265 | 0.54 | CYP11B1 (0.49) | — | |
| SCHEMBL22650905 | 0.53 | PIK3CA (0.47) | — | |
| SCHEMBL31487818 | 0.53 | HTR2C (0.47) | — |
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-2022070288-A1 | NITROGEN-CONTAINING BICYCLIC COMPOUND | 旭化成ファーマ株式会社 | 2022-04-07 | — | — | WO | disclosed |