⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130891 | 0.87 | — | — | |
| SCHEMBL131206 | 0.86 | — | — | |
| SCHEMBL128070 | 0.76 | — | — | |
| SCHEMBL17913247 | 0.71 | — | — | |
| SCHEMBL83156 | 0.64 | — | — | |
| SCHEMBL23670219 | 0.60 | — | — | |
| SCHEMBL2033614 | 0.57 | — | — | |
| SCHEMBL28932 | 0.55 | — | — | |
| SCHEMBL3401 | 0.55 | — | — | |
| SCHEMBL23790310 | 0.54 | OPRM1 (0.36) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102212062-B | Derivative of amino ester, salt thereof and using method | GUANGDONG HEC PHARMACEUTICAL | 2015-04-29 | — | — | CN | disclosed |
| CN-102086211-B | Aromatic heterocyclic compounds serving as protein kinase inhibitor | SHENZHEN HEC INDUSTRY DEV CO LTD | 2013-09-11 | — | — | CN | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| CN-101374844-B | Pyrrolopyridazinone compound | UBE INDUSTRIES | 2012-10-24 | — | — | CN | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| CN-102212062-A | Derivative of amino ester, salt thereof and using method | DONGGUAN CHANGAN EAST SUNSHINE DRUG R & D CO LTD | 2011-10-12 | — | — | CN | disclosed |
| CN-102086211-A | Aromatic heterocyclic compounds serving as protein kinase inhibitor | SHENZHEN HEC INDUSTRY DEV CO LTD | 2011-06-08 | — | — | CN | 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 |