SCHEMBL15317433

SCHEMBL15317433

CCCC1CCC(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.31
GCGR P47871 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL15317431 0.91 SCN9A (0.32) SCN9A
SCHEMBL13002667 0.89 SCN9A (0.31) SCN9AOPRM1OPRK1OPRL1
SCHEMBL14226544 0.88 SCN9A (0.31) SCN9A
SCHEMBL15744822 0.88
SCHEMBL13002745 0.86 TLR4 (0.30)
SCHEMBL7733221 0.84 ALDH1A1 (0.43) OPRM1OPRK1OPRL1
SCHEMBL7722938 0.84 MAOB (0.36) GCGROPRM1OPRK1OPRL1
SCHEMBL7733214 0.84 ALDH1A1 (0.43) OPRM1OPRK1OPRL1
SCHEMBL7722941 0.84 MAOB (0.36) GCGROPRM1OPRK1OPRL1
SCHEMBL12031963 0.83

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-9133397-B2 Tricyclic compound having a plurality of CF2O bonding groups, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2015-09-15 US disclosed
US-9133397-B2 Tricyclic compound having a plurality of CF2O bonding groups, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2015-09-15 US disclosed
US-20130271719-A1 TRICYCLIC COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-10-17 US disclosed
US-20130271719-A1 TRICYCLIC COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-10-17 US disclosed