⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13527231 | 0.90 | GABRA1 (0.30) | — | |
| SCHEMBL13357367 | 0.86 | GABRA1 (0.33) | — | |
| SCHEMBL13002769 | 0.83 | GABRG2 (0.35) | — | |
| SCHEMBL10309520 | 0.81 | LIPG (0.32) | — | |
| SCHEMBL10309275 | 0.76 | LIPG (0.38) | — | |
| SCHEMBL10212001 | 0.76 | FFAR4 (0.32) | — | |
| SCHEMBL8312583 | 0.72 | KMT2A (0.36) | — | |
| SCHEMBL13168023 | 0.71 | GABRA1 (0.33) | — | |
| SCHEMBL13527448 | 0.71 | CDK5 (0.32) | — | |
| SCHEMBL16153988 | 0.70 | NR1H2 (0.36) | — |
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 4 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 |
| 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 |
| US-20090305891-A1 | CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2009-12-10 | — | — | US | disclosed |