⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3913426 | 0.84 | CHRM1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL29429517 | 0.82 | CHRM1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL29429508 | 0.82 | CHRM1 (0.38) | — | |
| SCHEMBL29034770 | 0.81 | NAAA (0.38) | — | |
| SCHEMBL15565100 | 0.81 | NAAA (0.41) | — | |
| SCHEMBL5317009 | 0.78 | NAAA (0.42) | — | |
| SCHEMBL23495094 | 0.78 | CHRM2 (0.43) | — | |
| SCHEMBL2253713 | 0.78 | — | — | |
| SCHEMBL21765657 | 0.78 | NAAA (0.48) | — | |
| Hydrochloric Acid SCHEMBL4180578 | 0.77 | NAAA (0.41) | — |
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 |