SCHEMBL19829199

SCHEMBL19829199

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 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
SCHEMBL15317439 0.90 PDE2A (0.30) SCN9A
SCHEMBL15317432 0.88 SCN9A (0.31) SCN9A
SCHEMBL14226578 0.87 FFAR4 (0.31)
SCHEMBL19829187 0.86 SCN9A (0.30) SCN9A
SCHEMBL19829210 0.86 SCN9A (0.30) SCN9A
SCHEMBL19829140 0.84 CYP2C9 (0.36)
SCHEMBL15317567 0.84
SCHEMBL19829153 0.83
SCHEMBL19829231 0.82 FFAR1 (0.33) SCN9A
SCHEMBL14226661 0.82 CYP11B1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed