SCHEMBL15460962

SCHEMBL15460962

CCCCCC1CCC(C2CCC(COc3ccc(C(F)(F)Oc4cc(F)c(OC=C(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PSEN1 P49768 1/20 0.33
SCN9A Q15858 1/20 0.33
PARP10 Q53GL7 2/20 0.31
PARP15 Q460N3 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL15460959 0.97 PTGES (0.34) PTGESALOX5PPARGPSEN1SCN9A
SCHEMBL15460786 0.89 ALDH1A1 (0.32)
SCHEMBL15461247 0.87 SCN9A (0.33) PTGESALOX5PPARGPSEN1SCN9A
SCHEMBL15460751 0.86 SCN9A (0.32) SCN9A
SCHEMBL15460735 0.86
SCHEMBL15460915 0.83
SCHEMBL15460791 0.83 ALDH1A1 (0.32)
SCHEMBL15460980 0.83 SCN9A (0.33) PTGESALOX5PPARGPSEN1SCN9A
SCHEMBL15460894 0.83
SCHEMBL15460883 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273245-B2 Compound having 2,2-difluorovinyloxy group or 1,2,2-trifluorovinyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-03-01 US disclosed
US-9273245-B2 Compound having 2,2-difluorovinyloxy group or 1,2,2-trifluorovinyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-03-01 US disclosed
US-20140034876-A1 COMPOUND HAVING 2,2-DIFLUOROVINYLOXY GROUP OR 1,2,2-TRIFLUOROVINYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-06 US disclosed
US-20140034876-A1 COMPOUND HAVING 2,2-DIFLUOROVINYLOXY GROUP OR 1,2,2-TRIFLUOROVINYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-06 US disclosed