SCHEMBL17548016

SCHEMBL17548016

Cc1c(F)cc(OC(F)(F)c2ccc(C3CCC(C)CC3)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
HTR2C P28335 2/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL13447434 0.96 ESR2 (0.37) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL7731316 0.91 ESR2 (0.41) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL7731315 0.91 ESR2 (0.41) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL17548014 0.90 ESR2 (0.38) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL15947871 0.88 ESR2 (0.39) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL11933097 0.88 CYP3A4 (0.42) HTR2CCYP3A4CYP2C9
SCHEMBL13447438 0.87 ESR2 (0.38) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL15744430 0.85 ESR2 (0.36) ESR2HTR2C
SCHEMBL19160059 0.85 ESR2 (0.36) ESR2HTR2CCYP3A4CYP2C9
SCHEMBL18032276 0.84 ESR2 (0.35) ESR2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487704-B2 Nematic liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20160319195-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160060526-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-03-03 US disclosed