SCHEMBL15744443

SCHEMBL15744443

CCCC1CCC(C2CCC(C(F)(F)Oc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GRM2 Q14416 1/20 0.31
FASN P49327 1/20 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
SCHEMBL15744323 0.93 CHRM2 (0.30) CHRM2CHRM5CHRM1CHRM3
SCHEMBL12621820 0.92 RARA (0.32) CHRM2CHRM5CHRM1CHRM3GRM2
SCHEMBL15744322 0.91 CHRM2 (0.31) CHRM2CHRM5CHRM1CHRM3
SCHEMBL13002745 0.89 TLR4 (0.30)
SCHEMBL15744324 0.88 SLC6A4 (0.30)
SCHEMBL12032315 0.88 FASN (0.31) CHRM2CHRM5CHRM1CHRM3FASN
SCHEMBL15744469 0.87 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3
SCHEMBL16325940 0.86 MMP12 (0.34) CHRM1
SCHEMBL13002934 0.86 ALOX5AP (0.36) GRM2
SCHEMBL13002667 0.85 SCN9A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
EP-2735599-B1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2015-04-29 EP disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP disclosed