SCHEMBL2160993

SCHEMBL2160993

CCC(=O)OCC(CC)(COC=O)COC(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 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
SCHEMBL23969539 0.93 THRB (0.34) THRBNAAA
SCHEMBL21553411 0.89 NAAA (0.36) THRBNAAA
SCHEMBL9001040 0.86 NAAA (0.41) THRBNAAAALDH1A1CYP1A2HPGD
SCHEMBL21652621 0.84 GAA (0.50) THRBALDH1A1CYP1A2
SCHEMBL14363147 0.83 THRB (0.39) THRBALDH1A1
SCHEMBL10067454 0.83 THRB (0.34) THRB
SCHEMBL19352762 0.82 ALDH1A1 (0.50) THRBALDH1A1HPGDHIF1A
SCHEMBL14613262 0.82 THRB (0.35) THRB
SCHEMBL15784532 0.80 ALDH1A1 (0.37) NAAAALDH1A1
SCHEMBL12154406 0.80 THRB (0.46) THRBNAAAALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3412727-B1 AQUEOUS DISPERSION, METHOD FOR MANUFACTURING THE SAME, AND IMAGE FORMING METHOD FUJIFILM CORP (JP) 2021-12-08 EP disclosed
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US disclosed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed