SCHEMBL13614982

SCHEMBL13614982

CC1CCC(c2ccc(/C=C/c3ccc(-c4cc(F)c(CF)c(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.36
NFE2L2 Q16236 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL9979993 0.87 FASN (0.42) FASN
SCHEMBL14206983 0.74 FASN (0.41) FASN
SCHEMBL91870 0.74 FASN (0.43) FASN
SCHEMBL12655810 0.74 CYP3A4 (0.31) FASN
SCHEMBL13615048 0.73 FASN (0.34) FASN
SCHEMBL91927 0.73 FASN (0.42) FASN
SCHEMBL9979991 0.73 ESR2 (0.45) FASN
SCHEMBL4431638 0.73 FASN (0.42) FASN
SCHEMBL12655811 0.73 FASN (0.33) FASN
SCHEMBL12655819 0.73 CYP3A4 (0.31) FASN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 EP disclosed