⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128430 | 0.79 | — | — | |
| SCHEMBL6178622 | 0.77 | — | — | |
| SCHEMBL28775416 | 0.75 | — | — | |
| SCHEMBL127534 | 0.75 | — | — | |
| SCHEMBL2754804 | 0.74 | — | — | |
| SCHEMBL127450 | 0.74 | FAAH (0.32) | — | |
| SCHEMBL14654867 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL127527 | 0.72 | FAAH (0.31) | — | |
| SCHEMBL19293 | 0.72 | — | — | |
| SCHEMBL8054830 | 0.69 | SHBG (0.38) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | 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 |
| US-5284821-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1994-02-08 | — | — | US | disclosed |
| US-5256633-A | Applying pre or postemergence | BASF AKTIENGESELLSCHAFT (DE) | 1993-10-26 | — | — | US | disclosed |
| US-5244867-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-14 | — | — | US | disclosed |