⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7352530 | 0.97 | AVPR1A (0.69) | — | |
| SCHEMBL7346570 | 0.96 | AVPR1A (0.67) | — | |
| SCHEMBL7345813 | 0.92 | RAB9A (0.65) | — | |
| SCHEMBL7345828 | 0.91 | — | — | |
| SCHEMBL27423073 | 0.90 | AVPR2 (0.62) | — | |
| SCHEMBL27322624 | 0.89 | AVPR2 (0.64) | — | |
| SCHEMBL7353086 | 0.88 | AVPR1A (0.66) | — | |
| SCHEMBL7345982 | 0.87 | RAB9A (0.78) | — | |
| SCHEMBL7351687 | 0.87 | RAB9A (0.53) | — | |
| SCHEMBL7347848 | 0.86 | RAB9A (0.72) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1048484-C | A process for preparing a composition containing benzoheterocycles | OTSUKA PHARMA CO LTD (JP) | 2000-01-19 | — | — | CN | disclosed |
| US-5985869-A | USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1999-11-16 | — | — | US | disclosed |
| US-5753677-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |