SCHEMBL6665632

SCHEMBL6665632

CCCCC[C@H]1CC[C@H](c2cc(F)c(C(F)(F)OCCc3cc(F)c(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 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
SCHEMBL6663949 0.92 CYP2C9 (0.33)
SCHEMBL6661624 0.90
SCHEMBL6664018 0.90 SPHK1 (0.33) SPHK1
SCHEMBL6663963 0.89
SCHEMBL6663119 0.87 SPHK1 (0.37) SPHK1
SCHEMBL6666365 0.87 SPHK1 (0.33) SPHK1
SCHEMBL12626614 0.85 FFAR4 (0.31) SPHK1
SCHEMBL12625437 0.85 FFAR4 (0.31) SPHK1
SCHEMBL6663468 0.85 HCRTR1 (0.33) SPHK1
SCHEMBL6664204 0.85 ALOX5 (0.35) SPHK1

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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed