⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15063544 | 0.85 | PTGS2 (0.31) | — | |
| SCHEMBL28090102 | 0.85 | — | — | |
| SCHEMBL27382724 | 0.85 | LOXL2 (0.32) | — | |
| SCHEMBL28785214 | 0.76 | CSNK2A1 (0.33) | — | |
| SCHEMBL15063566 | 0.74 | — | — | |
| SCHEMBL28090050 | 0.72 | TAAR1 (0.33) | — | |
| SCHEMBL457435 | 0.72 | — | — | |
| SCHEMBL27795269 | 0.72 | — | — | |
| SCHEMBL15063855 | 0.71 | PTGS2 (0.36) | — | |
| SCHEMBL27795265 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104277004-B | Prepare method and its intermediate of pyridazinone compound | 住友化学株式会社 | 2016-08-24 | — | — | CN | disclosed |
| CN-101861306-B | 4-phenyl-5-hydroxy-3(2H)-pyridazinone derivatives herbicides | SUMITOMO CHEMICAL CO | 2013-02-06 | — | — | CN | disclosed |
| CN-102421759-A | Pyridazinone compounds and use thereof | SUMITOMO CHEMICAL CO | 2012-04-18 | — | — | CN | disclosed |
| CN-101861306-A | 4-phenyl-5-hydroxy-3(2H)-pyridazinone derivatives as herbicides | SUMITOMO CHEMICAL CO | 2010-10-13 | — | — | CN | disclosed |