⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4674350 | 0.97 | ALDH1A1 (0.32) | — | |
| SCHEMBL10406969 | 0.87 | — | — | |
| SCHEMBL12971961 | 0.78 | OPRM1 (0.36) | — | |
| SCHEMBL15187736 | 0.75 | OPRM1 (0.35) | — | |
| SCHEMBL595093 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL579902 | 0.75 | OPRM1 (0.35) | — | |
| SCHEMBL176374 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL16981255 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL15677564 | 0.73 | — | — | |
| Potassium SCHEMBL9297432 | 0.73 | OPRM1 (0.34) | — |
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-2234959-B1 | SINGLE-STEP REDUCTIVE AMINATION | BASF SE (DE) | 2014-10-08 | — | — | EP | disclosed |
| EP-2234958-B1 | METHOD FOR DIASTEREO-SELECTIVE CONVERSION OF CHIRAL IMINES | BASF SE (DE) | 2013-09-18 | — | — | 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 |
| 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 |