SCHEMBL25918367

SCHEMBL25918367

CCCc1ccc(-c2ccc(-c3ccc(C4CC4)cc3)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.47
SPHK2 Q9NRA0 7/20 0.41
FFAR4 Q5NUL3 2/20 0.41
MPL P40238 1/20 0.38

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
SCHEMBL21609919 0.94 FFAR4 (0.42) SPHK1SPHK2FFAR4
SCHEMBL18779731 0.89 SPHK1 (0.45) SPHK1SPHK2FFAR4
SCHEMBL18779730 0.88 SPHK1 (0.47) SPHK1SPHK2FFAR4
SCHEMBL9494063 0.85 LPL (0.42) MPL
SCHEMBL18779732 0.84 SPHK1 (0.48) SPHK1SPHK2FFAR4
SCHEMBL22277616 0.84 CYP2C9 (0.41) SPHK1SPHK2FFAR4
SCHEMBL9927737 0.84 ALOX5 (0.52) SPHK1SPHK2FFAR4MPL
SCHEMBL13378500 0.84 FFAR4 (0.38) SPHK1SPHK2FFAR4
SCHEMBL9563689 0.83 MCL1 (0.41) MPL
SCHEMBL4323763 0.83 SPHK1 (0.61) SPHK1SPHK2

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
US-20230242817-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POYLMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-03 US disclosed
US-20230242817-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POYLMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-03 US disclosed
EP-4219656-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2023-08-02 EP disclosed