SCHEMBL6937669

SCHEMBL6937669

CCCCOCCCCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CES2 O00748 3/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.40
PLA2G2C Q5R387 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL18465762 0.98 CES2 (0.47) TSHRCES2CES1MEN1THRB
SCHEMBL18484327 0.98 CES2 (0.47) TSHRCES2CES1MEN1THRB
SCHEMBL13106607 0.95 TSHR (0.46) TSHRCES2CES1MEN1THRB
SCHEMBL6937882 0.95 CES2 (0.48) TSHRCES2CES1MEN1THRB
SCHEMBL6934489 0.93 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6934665 0.93 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6936691 0.93 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL22268706 0.93 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6932055 0.93 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6937500 0.93 CES1 (0.52) TSHRCES2CES1MEN1THRB

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