⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3183590 | 1.00 | — | — | |
| SCHEMBL1721297 | 1.00 | — | — | |
| SCHEMBL8648027 | 0.86 | GRIN2D (0.35) | — | |
| SCHEMBL3180158 | 0.83 | — | — | |
| SCHEMBL2428035 | 0.80 | HTR2A (0.35) | — | |
| SCHEMBL1476159 | 0.80 | — | — | |
| SCHEMBL6839193 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL16592261 | 0.78 | — | — | |
| SCHEMBL6309426 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL3176743 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8541617-B2 | Cycloalkylphenyl substituted cyclic ketoenols | BAYER CROPSCIENCE AG (DE) | 2013-09-24 | — | — | US | disclosed |
| EP-1989162-B1 | CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2013-07-03 | — | — | EP | disclosed |
| US-20120178927-A1 | CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2012-07-12 | — | — | US | disclosed |
| US-8013172-B2 | Cycloalkylphenyl substituted cyclic ketoenols | BAYER CROPSCIENCE AG (DE) | 2011-09-06 | — | — | US | disclosed |
| EP-2186791-A1 | Cycloalkyl-phenyl-substituted cyclic ketoenoles | Bayer CropScience AG (DE) | 2010-05-19 | — | — | EP | disclosed |
| EP-2186805-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 |
| US-20090305891-A1 | CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2009-12-10 | — | — | US | 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 |