⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3349558 | 0.89 | NAAA (0.33) | — | |
| SCHEMBL3349536 | 0.86 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL3344028 | 0.82 | — | — | |
| SCHEMBL13734693 | 0.76 | EPHX1 (0.31) | — | |
| SCHEMBL6376511 | 0.74 | EPHX1 (0.34) | — | |
| SCHEMBL1937796 | 0.73 | — | — | |
| SCHEMBL5342 | 0.71 | — | — | |
| SCHEMBL6175489 | 0.70 | — | — | |
| SCHEMBL6179017 | 0.68 | — | — | |
| SCHEMBL14991763 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945445-B9 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARM CO LTD (JP) | 2005-12-28 | — | — | EP | disclosed |
| EP-0945445-B1 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARM CO LTD (JP) | 2003-09-03 | — | — | EP | disclosed |
| US-6239131-B1 | WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-29 | — | — | US | disclosed |
| EP-0945445-A1 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |