⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL804646 | 0.73 | — | — | |
| SCHEMBL786337 | 0.73 | HCAR2 (0.50) | — | |
| SCHEMBL10140988 | 0.71 | — | — | |
| SCHEMBL21737145 | 0.71 | — | — | |
| SCHEMBL21389692 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31648852 | 0.71 | HCAR2 (0.39) | — | |
| SCHEMBL237217 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31389982 | 0.71 | HCAR2 (0.48) | — | |
| SCHEMBL25164062 | 0.68 | — | — | |
| SCHEMBL20363473 | 0.68 | HCAR2 (0.37) | — |
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 |
| CN-108602799-B | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2021-08-03 | — | — | CN | disclosed |
| WO-2017133701-A1 | CERTAIN PROTEIN KINASE INHIBITORS | SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) | 2017-08-10 | — | — | WO | disclosed |