SCHEMBL6937671

SCHEMBL6937671

[CH2]CCCCCOCC(C)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL6938904 1.00 PLA2G2C (0.32) PLA2G2CSPHK1USP2HTTCES2
SCHEMBL6933698 0.92
SCHEMBL6940617 0.81 SPHK1 (0.32) SPHK1USP2HTT
SCHEMBL6934797 0.81 SPHK1 (0.32) SPHK1USP2HTT
SCHEMBL6939913 0.78 USP2 (0.33) PLA2G2CSPHK1USP2HTTCES2
SCHEMBL6936703 0.78 USP2 (0.33) PLA2G2CSPHK1USP2HTTCES2
SCHEMBL6940850 0.78 USP2 (0.34) SPHK1USP2HTT
SCHEMBL6937147 0.78 USP2 (0.34) SPHK1USP2HTT
SCHEMBL2152710 0.77 SPHK1 (0.39) PLA2G2CSPHK1USP2HTT
SCHEMBL6650342 0.77 SPHK1 (0.39) PLA2G2CSPHK1USP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
EP-0751133-B1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 EP disclosed