⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4915407 | 0.87 | SHBG (0.37) | — | |
| SCHEMBL17986604 | 0.83 | SLC6A2 (0.33) | — | |
| SCHEMBL6178614 | 0.79 | — | — | |
| SCHEMBL15227575 | 0.78 | — | — | |
| SCHEMBL15227099 | 0.74 | — | — | |
| SCHEMBL1450811 | 0.74 | — | — | |
| SCHEMBL60694 | 0.70 | — | — | |
| SCHEMBL4622384 | 0.69 | — | — | |
| SCHEMBL8168179 | 0.67 | — | — | |
| SCHEMBL4672211 | 0.67 | TRPA1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | disclosed |
| 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 |