⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2256127 | 0.84 | — | — | |
| SCHEMBL127291 | 0.83 | SLC6A3 (0.47) | — | |
| SCHEMBL4870221 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL10988638 | 0.82 | SLC6A3 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL27615021 | 0.82 | SLC6A3 (0.46) | — | |
| SCHEMBL8219198 | 0.78 | — | — | |
| SCHEMBL12951903 | 0.78 | SLC6A3 (0.44) | — | |
| SCHEMBL15356506 | 0.78 | — | — | |
| SCHEMBL1053330 | 0.78 | — | — | |
| SCHEMBL438278 | 0.78 | — | — |
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 8 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-0035228-B1 | TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1985-01-02 | — | — | EP | disclosed |
| US-4372953-A | Tetrazole derivatives, and anti-ulcer composition containing the same | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1983-02-08 | — | — | US | disclosed |
| EP-0035228-A1 | Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1981-09-09 | — | — | EP | disclosed |