⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2387677 | 0.69 | — | — | |
| SCHEMBL9432653 | 0.66 | CHRNB2 (0.30) | — | |
| SCHEMBL3898627 | 0.64 | — | — | |
| SCHEMBL3277616 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL6631187 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL27676966 | 0.61 | GAA (0.32) | — | |
| Hydrochloric Acid SCHEMBL29131455 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL1090593 | 0.61 | — | — | |
| SCHEMBL26416120 | 0.58 | BRD4 (0.31) | — | |
| SCHEMBL3351081 | 0.57 | — | — |
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-1992009284-A1 | 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1992-06-11 | — | — | WO | disclosed |