⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6762259 | 0.74 | CA2 (0.31) | — | |
| SCHEMBL1106192 | 0.74 | TRPV1 (0.33) | — | |
| SCHEMBL21719150 | 0.73 | — | — | |
| SCHEMBL21719217 | 0.73 | — | — | |
| SCHEMBL21101021 | 0.70 | CA2 (0.31) | — | |
| SCHEMBL21100986 | 0.70 | SSTR4 (0.30) | — | |
| SCHEMBL13209259 | 0.70 | — | — | |
| SCHEMBL20811549 | 0.70 | — | — | |
| SCHEMBL20920986 | 0.70 | GABRA1 (0.37) | — | |
| SCHEMBL25791636 | 0.70 | CA12 (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 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-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 |
| US-8536177-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2013-09-17 | — | — | US | disclosed |
| US-20120004217-A1 | THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN | PURDUE PHARMA L.P. (US) | 2012-01-05 | — | — | US | disclosed |