⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17393141 | 0.85 | KDM1A (0.46) | — | |
| SCHEMBL1275698 | 0.83 | KDM1A (0.44) | — | |
| SCHEMBL6632983 | 0.82 | — | — | |
| SCHEMBL130601 | 0.79 | — | — | |
| SCHEMBL128910 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL16057346 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL689833 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL16831513 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL130825 | 0.73 | HCAR2 (0.40) | — | |
| SCHEMBL6633054 | 0.73 | ALDH1A1 (0.41) | — |
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 9 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 |
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | 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-0719258-B1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMA CO LTD (JP) | 2001-10-31 | — | — | EP | disclosed |
| US-5786367-A | OXYGEN SCAVENGERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| EP-0719258-A1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-07-03 | — | — | EP | disclosed |
| WO-1996002508-A1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-01 | — | — | WO | disclosed |