SCHEMBL6934725

SCHEMBL6934725

[CH2]CCCCCOCC(Cl)C(C)Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
PLA2G2C Q5R387 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
SCHEMBL6939332 1.00 SPHK1 (0.33) SPHK1USP2HTTPLA2G2C
SCHEMBL6940155 0.92
SCHEMBL6934134 0.83 USP2 (0.34) SPHK1USP2HTT
SCHEMBL6936556 0.83 USP2 (0.34) SPHK1USP2HTT
SCHEMBL6654969 0.79 SPHK1 (0.39) SPHK1USP2HTTPLA2G2C
SCHEMBL6651656 0.79 SPHK1 (0.39) SPHK1USP2HTTPLA2G2C
SCHEMBL2152710 0.79 SPHK1 (0.39) SPHK1USP2HTTPLA2G2C
SCHEMBL6650342 0.79 SPHK1 (0.39) SPHK1USP2HTTPLA2G2C
SCHEMBL2152604 0.79 SPHK1 (0.39) SPHK1USP2HTTPLA2G2C
SCHEMBL9149315 0.79 SPHK1 (0.39) SPHK1USP2HTTPLA2G2C

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