⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128864 | 0.92 | PPARG (0.46) | — | |
| SCHEMBL5077214 | 0.90 | PPARG (0.48) | — | |
| SCHEMBL27389163 | 0.90 | PPARG (0.48) | — | |
| SCHEMBL127073 | 0.83 | — | — | |
| SCHEMBL4091375 | 0.82 | — | — | |
| SCHEMBL129431 | 0.82 | F7 (0.43) | — | |
| SCHEMBL5228093 | 0.80 | PPARG (0.53) | — | |
| SCHEMBL5228105 | 0.80 | PPARG (0.53) | — | |
| SCHEMBL3330873 | 0.80 | TRPA1 (0.52) | — | |
| SCHEMBL572485 | 0.78 | CES2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4863947-A | PESTICIDES, INSECTICIDES | ROHM AND HAAS (US) | 1989-09-05 | — | — | US | disclosed |