⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7959721 | 0.72 | — | — | |
| SCHEMBL2621616 | 0.72 | GABRA1 (0.33) | — | |
| SCHEMBL28072313 | 0.70 | — | — | |
| SCHEMBL22661738 | 0.70 | — | — | |
| SCHEMBL7959718 | 0.70 | — | — | |
| SCHEMBL5599069 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL23890624 | 0.70 | TAAR1 (0.33) | — | |
| SCHEMBL19085919 | 0.67 | FAAH (0.30) | — | |
| SCHEMBL10092862 | 0.67 | TAAR1 (0.33) | — | |
| SCHEMBL8526642 | 0.66 | P2RX7 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3611165-B1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) | 2023-08-16 | — | — | EP | disclosed |
| WO-2019059161-A1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2019-03-28 | — | — | WO | disclosed |
| CN-105189484-B | Cxcr7 antagonists | 凯莫森特里克斯股份有限公司 | 2018-05-04 | — | — | CN | disclosed |