⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL939965 | 0.83 | — | — | |
| SCHEMBL940465 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL939126 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL939560 | 0.72 | MAT2A (0.31) | — | |
| SCHEMBL938817 | 0.72 | — | — | |
| SCHEMBL939250 | 0.71 | CTSS (0.38) | — | |
| SCHEMBL938853 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL941040 | 0.67 | MAPK1 (0.31) | — | |
| SCHEMBL939883 | 0.66 | HSD17B10 (0.33) | — | |
| SCHEMBL939454 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1405853-A1 | ISOXAZOLINE DERIVATIVES AND HERBICIDES | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-04-07 | — | — | EP | disclosed |