SCHEMBL15317439

SCHEMBL15317439

CCCC1CCC(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.30
SCN9A Q15858 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
SCHEMBL14226578 0.97 FFAR4 (0.31)
SCHEMBL15317432 0.90 SCN9A (0.31) SCN9A
SCHEMBL19829199 0.90 SCN9A (0.31) SCN9A
SCHEMBL15317567 0.86
SCHEMBL15744560 0.85 CHRM2 (0.30)
SCHEMBL15745218 0.85
SCHEMBL15744919 0.85
SCHEMBL7730996 0.84 HCRTR1 (0.32)
SCHEMBL7730995 0.84 HCRTR1 (0.32)
SCHEMBL7735281 0.84 CYP2C9 (0.37)

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