⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL162659 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL487868 | 0.67 | — | — | |
| SCHEMBL15271115 | 0.64 | KCNQ3 (0.30) | — | |
| SCHEMBL4668404 | 0.62 | — | — | |
| SCHEMBL487329 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL230414 | 0.60 | KDM4E (0.50) | — | |
| SCHEMBL27649634 | 0.60 | CYP11B1 (0.30) | — | |
| SCHEMBL487331 | 0.58 | CYP11B1 (0.33) | — | |
| SCHEMBL14844780 | 0.56 | KDM4E (0.31) | — | |
| SCHEMBL27747640 | 0.56 | TDP1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2004606-B1 | SUBSTITUTED ENAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2013-04-24 | — | — | EP | disclosed |
| EP-2004606-A1 | SUBSTITUTED ENAMINOCARBONYL COMPOUNDS | Bayer CropScience AG (DE) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007115643-A1 | SUBSTITUTED ENAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2007-10-18 | — | — | WO | disclosed |