⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2470470 | 0.89 | NQO2 (0.31) | — | |
| SCHEMBL2469998 | 0.83 | HSP90AA1 (0.41) | — | |
| SCHEMBL2465821 | 0.83 | CTSA (0.37) | — | |
| SCHEMBL2469572 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL2465963 | 0.81 | MAPK9 (0.35) | — | |
| SCHEMBL3332403 | 0.80 | NQO2 (0.37) | — | |
| SCHEMBL17797243 | 0.80 | HSP90AA1 (0.34) | — | |
| SCHEMBL2469353 | 0.79 | FFAR4 (0.31) | — | |
| SCHEMBL2467629 | 0.79 | FFAR4 (0.35) | — | |
| SCHEMBL2464666 | 0.78 | GRM2 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2060566-B1 | Poly-substituted aryls | DOW AGROSCIENCES LLC (US) | 2016-06-08 | — | — | EP | claimed |
| EP-2939540-A1 | HERBICIDE SAFENER COMBINATION | Bayer Intellectual Property GmbH (DE) | 2015-11-04 | — | — | EP | disclosed |
| EP-2939541-A1 | HERBICIDE SAFENER COMBINATION | Bayer Intellectual Property GmbH (DE) | 2015-11-04 | — | — | EP | disclosed |
| EP-2369929-A2 | HERBICIDE-SAFENER COMBINATION | Bayer CropScience AG (DE) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010060581-A2 | HERBICIDE-SAFENER COMBINATION | BAYER CROPSCIENCE AG (DE) | 2010-06-03 | — | — | WO | disclosed |
| EP-2191719-A1 | Herbicide safener combination | Bayer CropScience AG (DE) | 2010-06-02 | — | — | EP | disclosed |