SCHEMBL7782276

SCHEMBL7782276

CCCCC1COC(CCC2COC(CCc3cc(F)c(F)c(F)c3)OC2)OC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.32
SPHK1 Q9NYA1 2/20 0.32

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
SCHEMBL7782274 1.00 SPHK2 (0.32) SPHK2SPHK1
SCHEMBL7774540 0.96 SPHK2 (0.34) SPHK2SPHK1
SCHEMBL7774543 0.96 SPHK2 (0.34) SPHK2SPHK1
SCHEMBL7779455 0.92
SCHEMBL7779450 0.92
SCHEMBL7781492 0.90
SCHEMBL7781495 0.90
SCHEMBL7782203 0.87 SPHK2 (0.36) SPHK2SPHK1
SCHEMBL7782195 0.87 SPHK2 (0.36) SPHK2SPHK1
SCHEMBL7779345 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732330-B1 Di-1,3-dioxane derivatives useful as liquid crystals ROLIC AG (CH) 2001-09-12 EP disclosed
US-5667721-A Liquid crystalline di-1,3-dioxane derivatives ROLIC AG (CH) 1997-09-16 US disclosed
EP-0732330-A1 Di-1,3-dioxane derivatives useful as liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1996-09-18 EP disclosed