⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL940309 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL938913 | 0.78 | MPO (0.41) | — | |
| SCHEMBL25618882 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL5373311 | 0.74 | — | — | |
| SCHEMBL24677205 | 0.74 | BRD9 (0.30) | — | |
| SCHEMBL28330587 | 0.71 | — | — | |
| SCHEMBL13754852 | 0.70 | KDM4E (0.36) | — | |
| SCHEMBL17066930 | 0.70 | MAPT (0.47) | — | |
| SCHEMBL939127 | 0.70 | PTGS2 (0.32) | — | |
| SCHEMBL13184393 | 0.69 | MAPT (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875606-B2 | Herbicides; selectivity between crops and weeds | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2011-01-25 | — | — | US | disclosed |
| EP-1405853-B1 | ISOXAZOLINE DERIVATIVES AND HERBICIDES | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2010-11-03 | — | — | EP | disclosed |
| US-20040259734-A1 | Izoxazoline derivative and herbicide | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-12-23 | — | — | US | disclosed |
| EP-1405853-A1 | ISOXAZOLINE DERIVATIVES AND HERBICIDES | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-04-07 | — | — | EP | disclosed |