⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL487805 | 0.94 | CTSL (0.31) | — | |
| SCHEMBL2894228 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL487868 | 0.83 | — | — | |
| SCHEMBL2891137 | 0.83 | — | — | |
| SCHEMBL487449 | 0.81 | CA1 (0.30) | — | |
| SCHEMBL13290794 | 0.81 | — | — | |
| SCHEMBL2891792 | 0.81 | CTSL (0.32) | — | |
| SCHEMBL2890887 | 0.79 | DAO (0.36) | — | |
| SCHEMBL2896122 | 0.78 | CTSL (0.30) | — | |
| SCHEMBL14995923 | 0.78 | CTSL (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 11 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-B1 | SUBSTITUTED ENAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2013-04-24 | — | — | EP | disclosed |
| US-8106212-B2 | Substituted enaminocarbonyl compounds | BAYER CROPSCIENCE AG (DE) | 2012-01-31 | — | — | US | disclosed |
| US-8106212-B2 | Substituted enaminocarbonyl compounds | BAYER CROPSCIENCE AG (DE) | 2012-01-31 | — | — | US | disclosed |
| US-8106212-B2 | Substituted enaminocarbonyl compounds | BAYER CROPSCIENCE AG (DE) | 2012-01-31 | — | — | US | disclosed |
| US-20090247551-A1 | SUBSTITUTED ENAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2009-10-01 | — | — | US | disclosed |
| US-20090247551-A1 | SUBSTITUTED ENAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2009-10-01 | — | — | US | disclosed |
| US-20090247551-A1 | SUBSTITUTED ENAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2009-10-01 | — | — | US | 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 |
| WO-2007115643-A1 | SUBSTITUTED ENAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2007-10-18 | — | — | WO | disclosed |