⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL569712 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6177026 | 0.79 | — | — | |
| SCHEMBL27792508 | 0.73 | FFAR3 (0.30) | — | |
| SCHEMBL4173859 | 0.71 | ALOX15 (0.37) | — | |
| Toluene SCHEMBL11338240 | 0.65 | TSHR (0.44) | — | |
| SCHEMBL5243129 | 0.65 | KMT2A (0.41) | — | |
| Urethane SCHEMBL3170783 | 0.64 | ALOX15 (0.65) | — | |
| Carbamic Acid SCHEMBL16057899 | 0.63 | — | — | |
| Alcohol SCHEMBL27750686 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL30779731 | 0.63 | GAA (0.35) | — |
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-2186805-A1 | Cycloalkyl-phenyl-substituted cyclic ketoenoles | Bayer CropScience AG (DE) | 2010-05-19 | — | — | EP | disclosed |
| EP-2186791-A1 | Cycloalkyl-phenyl-substituted cyclic ketoenoles | Bayer CropScience AG (DE) | 2010-05-19 | — | — | EP | disclosed |
| EP-2184275-A1 | Cycloalkyl-phenyl-substituted cyclic ketoenoles | Bayer CropScience AG (DE) | 2010-05-12 | — | — | EP | disclosed |
| EP-1989162-A1 | CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS | Bayer CropScience AG (DE) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007096058-A1 | CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2007-08-30 | — | — | WO | disclosed |