⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2490452 | 0.82 | TDP1 (0.40) | — | |
| SCHEMBL2531996 | 0.78 | ALOX12 (0.32) | — | |
| SCHEMBL3842843 | 0.71 | TDP1 (0.43) | — | |
| SCHEMBL3330390 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL30722779 | 0.61 | KDM4E (0.37) | — | |
| SCHEMBL26988845 | 0.61 | KDM4E (0.37) | — | |
| SCHEMBL2493294 | 0.60 | TDP1 (0.39) | — | |
| SCHEMBL6164151 | 0.60 | ALDH1A1 (0.43) | — | |
| SCHEMBL27837967 | 0.58 | CYP3A4 (0.36) | — | |
| SCHEMBL15063403 | 0.57 | KDM4E (0.45) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2939541-A1 | HERBICIDE SAFENER COMBINATION | Bayer Intellectual Property GmbH (DE) | 2015-11-04 | — | — | EP | disclosed |
| EP-2939540-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 |