SCHEMBL27424062

SCHEMBL27424062

CCCC=C(Br)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.31
CES1 P23141 2/20 0.31

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
SCHEMBL27453897 0.86 FAAH (0.36) FAAHCES1
SCHEMBL27424063 0.79
SCHEMBL16969761 0.77
SCHEMBL16969768 0.77
SCHEMBL10713098 0.72 FAAH (0.31) FAAHCES1
SCHEMBL11099745 0.70 BACE1 (0.35) FAAHCES1
SCHEMBL27462059 0.70 BACE1 (0.35) FAAHCES1
SCHEMBL4583970 0.70 FAAH (0.31) FAAHCES1
SCHEMBL14047259 0.70 BACE1 (0.31) FAAHCES1
SCHEMBL12074800 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1112347-C 1-trifluoromethyl-2-alkylvinylaniline derivative and its synthesis SHANGHAI INST ORGANIC CHEM (CN) 2003-06-25 CN disclosed
CN-1263084-A 1-trifluoromethyl-2-alkylvinylaniline derivative and its synthesis SHANGHAI INST ORGANIC CHEM (CN) 2000-08-16 CN disclosed