⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3662658 | 1.00 | — | — | |
| SCHEMBL3737286 | 0.84 | — | — | |
| SCHEMBL3737287 | 0.84 | — | — | |
| SCHEMBL3664128 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL3732007 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL3664051 | 0.83 | CACNB4 (0.31) | — | |
| SCHEMBL3664053 | 0.83 | CACNB4 (0.31) | — | |
| SCHEMBL3032828 | 0.72 | PGR (0.32) | — | |
| SCHEMBL3712253 | 0.72 | TAAR1 (0.35) | — | |
| SCHEMBL3712255 | 0.72 | TAAR1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895761-B2 | 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides | SYNGENTA LIMITED (GB) | 2014-11-25 | — | — | US | disclosed |
| EP-2222657-B1 | PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES | SYNGENTA LTD (GB) | 2012-09-12 | — | — | EP | disclosed |
| US-20100279872-A1 | 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-04 | — | — | US | disclosed |
| EP-2222657-A1 | 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES | Syngenta Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009074314-A1 | 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES | SYNGENTA LIMITED (GB) | 2009-06-18 | — | — | WO | disclosed |