⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL487384 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL487359 | 0.85 | — | — | |
| SCHEMBL487449 | 0.82 | CA1 (0.30) | — | |
| SCHEMBL119650 | 0.81 | NR3C2 (0.32) | — | |
| SCHEMBL119406 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL29728033 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL28691222 | 0.78 | NR3C2 (0.33) | — | |
| SCHEMBL14995922 | 0.77 | PDE3B (0.33) | — | |
| SCHEMBL2893043 | 0.76 | NR3C2 (0.32) | — | |
| SCHEMBL12949772 | 0.76 | LMNA (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 10 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 |