⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7717442 | 0.96 | — | — | |
| SCHEMBL1515198 | 0.92 | — | — | |
| SCHEMBL498177 | 0.84 | — | — | |
| SCHEMBL7733436 | 0.69 | — | — | |
| SCHEMBL7733056 | 0.69 | — | — | |
| SCHEMBL7739375 | 0.69 | — | — | |
| SCHEMBL7733172 | 0.69 | — | — | |
| SCHEMBL7733243 | 0.69 | — | — | |
| SCHEMBL7658464 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL247765 | 0.64 | ALDH1A1 (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2157084-B1 | 5-PHENYL-3-PYRIDAZINONE DERIVATIVE | KOWA CO (JP) | 2013-05-22 | — | — | EP | disclosed |
| US-8106053-B2 | 5-phenyl-3-pyridazinone derivative | KOWA COMPANY, LTD. | 2012-01-31 | — | — | US | disclosed |
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| US-20100197698-A1 | 5-PHENYL-3-PYRIDAZINONE DERIVATIVE | KOWA COMPANY, LTD. (JP) | 2010-08-05 | — | — | US | disclosed |
| US-20100104659-A1 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2010-04-29 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| EP-2157084-A1 | 5-PHENYL-3-PYRIDAZINONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-02-24 | — | — | EP | disclosed |
| EP-2041141-A2 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008006883-A2 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2008-01-17 | — | — | WO | disclosed |