⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12343895 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL21718397 | 0.75 | CYP3A4 (0.41) | — | |
| SCHEMBL21718953 | 0.75 | GAA (0.41) | — | |
| SCHEMBL21718955 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL21718791 | 0.72 | — | — | |
| SCHEMBL20783224 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL18373638 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL1681660 | 0.67 | KIF11 (0.39) | — | |
| SCHEMBL26467384 | 0.67 | GAA (0.35) | — | |
| SCHEMBL22398882 | 0.67 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11178870-B2 | Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients | MITSUI CHEMICALS AGRO, INC. (JP) | 2021-11-23 | — | — | US | disclosed |
| US-11117863-B2 | Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients | MITSUI CHEMICALS AGRO, INC. (JP) | 2021-09-14 | — | — | US | disclosed |
| US-20200172486-A1 | PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS | MITSUI CHEMICALS AGRO, INC. (JP) | 2020-06-04 | — | — | US | disclosed |
| US-20200045968-A1 | PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS | MITSUI CHEMICALS AGRO, INC. (JP) | 2020-02-13 | — | — | US | disclosed |