⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3162980 | 0.80 | CA1 (0.31) | — | |
| SCHEMBL3167347 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL3158407 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL4222785 | 0.76 | CA1 (0.32) | — | |
| SCHEMBL3163800 | 0.75 | CA1 (0.31) | — | |
| SCHEMBL3150399 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL13986680 | 0.72 | — | — | |
| SCHEMBL13451478 | 0.71 | — | — | |
| SCHEMBL3154109 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL3161820 | 0.66 | CA1 (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680290-B2 | Isoxazoline derivatives and their use as herbicides | SYNGENTA LIMITED (GB) | 2014-03-25 | — | — | US | disclosed |
| US-8680290-B2 | Isoxazoline derivatives and their use as herbicides | SYNGENTA LIMITED (GB) | 2014-03-25 | — | — | US | disclosed |
| US-8680290-B2 | Isoxazoline derivatives and their use as herbicides | SYNGENTA LIMITED (GB) | 2014-03-25 | — | — | US | disclosed |
| EP-1789401-B1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA LTD (GB) | 2010-03-03 | — | — | EP | disclosed |
| EP-1789401-B1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA LTD (GB) | 2010-03-03 | — | — | EP | disclosed |
| US-20080139390-A1 | Isoxazoline Derivatives and Their Use as Herbicides | SYNGENTA LIMITED (GB) | 2008-06-12 | — | — | US | disclosed |
| US-20080139390-A1 | Isoxazoline Derivatives and Their Use as Herbicides | SYNGENTA LIMITED (GB) | 2008-06-12 | — | — | US | disclosed |
| US-20080139390-A1 | Isoxazoline Derivatives and Their Use as Herbicides | SYNGENTA LIMITED (GB) | 2008-06-12 | — | — | US | disclosed |
| EP-1789401-A1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | Syngenta Limited (GB) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006024820-A1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA LIMITED (GB) | 2006-03-09 | — | — | WO | disclosed |