⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16950570 | 0.85 | POLB (0.35) | — | |
| SCHEMBL28299085 | 0.75 | HDAC8 (0.36) | — | |
| SCHEMBL17133924 | 0.75 | ESR2 (0.34) | — | |
| SCHEMBL457279 | 0.74 | — | — | |
| SCHEMBL2254634 | 0.73 | CYP11B2 (0.39) | — | |
| SCHEMBL455045 | 0.73 | HTR2C (0.37) | — | |
| SCHEMBL1978097 | 0.73 | AKR1A1 (0.30) | — | |
| SCHEMBL16954334 | 0.73 | ESR2 (0.39) | — | |
| SCHEMBL28111660 | 0.73 | — | — | |
| SCHEMBL16958384 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-B1 | HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-08-21 | — | — | EP | disclosed |
| US-9585392-B2 | 3-phenylisoxazolin derivatives with herbicidal action | BAYER CROPSCIENCE AG (DE) | 2017-03-07 | — | — | US | disclosed |
| US-20150245615-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | BAYER CROPSCIENCE AG (DE) | 2015-09-03 | — | — | US | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |