SCHEMBL6933492

SCHEMBL6933492

CCCCCOCCCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.41
PLA2G2C Q5R387 1/20 0.39
FAAH O00519 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6934199 0.98 CES1 (0.52) CES2CES1MEN1THRBHTT
SCHEMBL6939280 0.98 CES1 (0.52) CES2CES1MEN1THRBHTT
SCHEMBL4619394 0.98 MEN1 (0.50) CES2CES1MEN1THRBHTT
SCHEMBL6938881 0.98 CES1 (0.52) CES2CES1MEN1THRBHTT
SCHEMBL6936659 0.98 CES1 (0.52) CES2CES1MEN1THRBHTT
SCHEMBL6940871 0.98 CES1 (0.52) CES2CES1MEN1THRBHTT
SCHEMBL13106607 0.95 TSHR (0.46) CES2CES1MEN1THRBHTT
SCHEMBL6937882 0.95 CES2 (0.48) CES2CES1MEN1THRBHTT
SCHEMBL6934665 0.93 CES1 (0.52) CES2CES1MEN1THRBHTT
SCHEMBL22268706 0.93 CES1 (0.52) CES2CES1MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145810-A1 ELECTROLYTE SOLUTION, SECONDARY BATTERY COMPRISING SAME, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2024-07-11 WO disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 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
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed