⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2049287 | 0.75 | HMGCR (0.33) | — | |
| SCHEMBL2045975 | 0.75 | — | — | |
| SCHEMBL2052732 | 0.68 | HMGCR (0.33) | — | |
| SCHEMBL2047559 | 0.67 | HSP90AA1 (0.41) | — | |
| SCHEMBL16924878 | 0.66 | TAAR1 (0.52) | — | |
| SCHEMBL2052978 | 0.65 | HTR1A (0.33) | — | |
| SCHEMBL2051593 | 0.65 | HTR1A (0.41) | — | |
| SCHEMBL2049635 | 0.65 | GABRA1 (0.38) | — | |
| SCHEMBL4453876 | 0.64 | — | — | |
| SCHEMBL3158777 | 0.62 | SCN9A (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7608563-B2 | 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same | MITSUI AGRO CHEMICALS, INC. (JP) | 2009-10-27 | — | — | US | disclosed |
| US-20050037925-A1 | 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same | SANKYO AGRO COMPANY, LIMITED (JP) | 2005-02-17 | — | — | US | disclosed |