⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14844410 | 0.80 | — | — | |
| SCHEMBL14844442 | 0.79 | AVPR1A (0.35) | — | |
| SCHEMBL14844475 | 0.77 | AVPR1A (0.42) | — | |
| SCHEMBL14844243 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2343207 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2340976 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2477587 | 0.66 | LIPG (0.32) | — | |
| Hydrochloric Acid SCHEMBL2544777 | 0.65 | AVPR1A (0.33) | — | |
| Hydrochloric Acid SCHEMBL2551680 | 0.65 | OPRK1 (0.34) | — | |
| SCHEMBL2595939 | 0.65 | AVPR1A (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763997-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013050334-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |