⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6379898 | 0.95 | NAAA (0.33) | — | |
| SCHEMBL6384799 | 0.93 | NAAA (0.35) | — | |
| SCHEMBL6381348 | 0.93 | NAAA (0.35) | — | |
| SCHEMBL5321699 | 0.93 | NAAA (0.35) | — | |
| SCHEMBL131496 | 0.90 | — | — | |
| SCHEMBL130755 | 0.86 | NAAA (0.35) | — | |
| SCHEMBL129859 | 0.85 | NAAA (0.38) | — | |
| SCHEMBL125380 | 0.82 | — | — | |
| SCHEMBL2356087 | 0.82 | NAAA (0.39) | — | |
| SCHEMBL2357695 | 0.80 | NAAA (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 16 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-20050085516-A1 | 2-W-diaminocarboxylic acid compounds | BASF AKTIENGESELLSCHAFT (DE) | 2005-04-21 | — | — | US | disclosed |
| EP-0944623-B1 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AG (DE) | 2004-09-01 | — | — | EP | disclosed |
| EP-1200428-B1 | SUBSTITUTED BENZOXAZOLES | BASF AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| US-6528455-B1 | Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |
| US-6482774-B1 | Substituted (4-brompyrazole-3-yl) benzazoles | BASF AKTIENGESELLSCHAFT (DE) | 2002-11-19 | — | — | US | disclosed |
| EP-0915853-B1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AG (DE) | 2002-11-06 | — | — | EP | disclosed |
| EP-1076660-B1 | SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES | BASF AG (DE) | 2002-06-26 | — | — | EP | disclosed |
| US-6383986-B1 | USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-07 | — | — | US | disclosed |
| US-6232470-B1 | AGRICULTURE | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-15 | — | — | US | disclosed |
| WO-2001019820-A1 | SUBSTITUTED PYRAZOL-3-YLBENZOXAZINONES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-22 | — | — | WO | disclosed |
| US-6197973-B1 | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |
| CN-1244865-A | Substituted pyrazole-3-yl benzazoles | BASF AK (DE) | 2000-02-16 | — | — | CN | disclosed |