⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1766119 | 0.77 | — | — | |
| SCHEMBL128376 | 0.75 | — | — | |
| SCHEMBL28649996 | 0.75 | — | — | |
| SCHEMBL13410354 | 0.73 | GABRR1 (0.46) | — | |
| SCHEMBL17953984 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL12891365 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL987984 | 0.73 | — | — | |
| SCHEMBL371457 | 0.73 | — | — | |
| SCHEMBL7627506 | 0.73 | — | — | |
| SCHEMBL10489503 | 0.71 | — | — |
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-4956374-A | BACTERICIDES, CANDIDA | BRISTOL-MYERS COMPANY (US) | 1990-09-11 | — | — | US | claimed |
| US-9921498-B2 | Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus | CANON KABUSHIKI KAISHA (JP) | 2018-03-20 | — | — | US | disclosed |
| US-20160377998-A1 | ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS | CANON KABUSHIKI KAISHA (JP) | 2016-12-29 | — | — | US | disclosed |
| 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-4956374-A | BACTERICIDES, CANDIDA | BRISTOL-MYERS COMPANY (US) | 1990-09-11 | — | — | US | disclosed |
| US-4487772-A | CARDIOTONIC AGENTS | OTSUKA PHARMACEUTICAL CO. LTD. (JP) | 1984-12-11 | — | — | US | disclosed |
| US-4468402-A | Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-08-28 | — | — | US | disclosed |
| US-4454130-A | CARDIOTONIC, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-06-12 | — | — | US | disclosed |