⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29548544 | 0.87 | — | — | |
| SCHEMBL29548866 | 0.78 | — | — | |
| SCHEMBL25757797 | 0.67 | NPBWR1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL27199426 | 0.66 | NPBWR1 (0.38) | — | |
| SCHEMBL25757796 | 0.62 | DGAT1 (0.43) | — | |
| SCHEMBL27199361 | 0.61 | NPBWR1 (0.38) | — | |
| SCHEMBL19128308 | 0.60 | ALDH1A1 (0.41) | — | |
| SCHEMBL29427113 | 0.55 | — | — | |
| SCHEMBL25339029 | 0.55 | — | — | |
| SCHEMBL27845122 | 0.53 | CA1 (0.46) | — |
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 |