SCHEMBL19829231

SCHEMBL19829231

CCCC1CCC(C2CCC(C(F)(F)Oc3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GRM2 Q14416 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
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
SCHEMBL19829232 0.94 FFAR1 (0.30) FFAR1FFAR4
SCHEMBL19829177 0.90 GRM2 (0.31) GRM2
SCHEMBL12621652 0.89 GRM2 (0.34) GRM2ALOX5APFEN1SCN9A
SCHEMBL19829187 0.89 SCN9A (0.30) SCN9A
SCHEMBL19829210 0.89 SCN9A (0.30) SCN9A
SCHEMBL12032321 0.85 GRM2 (0.32) GRM2ALOX5APFEN1
SCHEMBL17070288 0.85 GRM2 (0.32) GRM2ALOX5APFEN1
SCHEMBL19829183 0.85 ALOX5AP (0.36) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL18560113 0.84 SCN9A (0.30) GRM2SCN9A
SCHEMBL15745025 0.83 GRM2 (0.33) GRM2ALOX5APFEN1

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