SCHEMBL7728347

SCHEMBL7728347

C[C@H]1CC[C@H](c2cc(F)c(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
NOTUM Q6P988 1/20 0.32
WDR5 P61964 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
HCAR2 Q8TDS4 3/20 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
SCHEMBL7728350 1.00 SCN9A (0.33) SCN9ANOTUMWDR5IDO1TDO2
SCHEMBL7738924 0.96 SCN9A (0.32) SCN9ANOTUM
SCHEMBL7738929 0.96 SCN9A (0.32) SCN9ANOTUM
SCHEMBL7738941 0.86 DGAT1 (0.34) SCN9ANOTUM
SCHEMBL7738939 0.86 DGAT1 (0.34) SCN9ANOTUM
SCHEMBL7735987 0.84 CYP2C9 (0.36) SCN9AWDR5IDO1TDO2
SCHEMBL7735986 0.84 CYP2C9 (0.36) SCN9AWDR5IDO1TDO2
SCHEMBL7738958 0.83 DGAT1 (0.32) SCN9A
SCHEMBL7738959 0.83 DGAT1 (0.32) SCN9A
SCHEMBL7736492 0.82 MAPT (0.36) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468606-B1 LOW VISCOSITY, HIGH DIELECTRIC ANISOTROPY, LOW OPTICAL ANISOTROPY, EXCELLENT LOW TEMPERATURE COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS; 3,4,5-TRIFLUOROPHENYL-(2-FLUORO-4-(TRANS-4-PROPYLCYCLOHEXYL))BENZOATE CHISSO CORPORATION (JP) 2002-10-22 US disclosed
EP-0808825-B1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0808886-B1 LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORP (JP) 2000-08-23 EP disclosed
US-5922243-A LOW VISCOSITY, HIGH DIELECTRIC AND LOW OPTICAL ANISOTROPY, EXCELLENT COMPATIBILITY CHISSO CORPORATION (JP) 1999-07-13 US disclosed
US-5855814-A Liquid crystal compositions and liquid crystal display elements CHISSO CORPORATION (JP) 1999-01-05 US disclosed
EP-0808886-A1 LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed
EP-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed