SCHEMBL2161005

SCHEMBL2161005

CC(=O)OCC(C)OC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 6/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
RECQL P46063 1/20 0.34
PTPN1 P18031 1/20 0.34
CHRM1 P11229 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
TBXA2R P21731 2/20 0.33
HPGD P15428 1/20 0.33
GALR3 O60755 1/20 0.32
BLM P54132 1/20 0.32
CHRM5 P08912 2/20 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
SCHEMBL2161397 0.84 TDP1 (0.35) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL14145611 0.80 TDP1 (0.41) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL2160915 0.79 ALOX15 (0.49) TSHRALDH1A1LMNAHSD17B10ALOX15
SCHEMBL12808444 0.78 TSHR (0.68) TSHRALDH1A1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL14682782 0.77 TDP1 (0.38) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL3392019 0.76 ALDH1A1 (0.45) TSHRALDH1A1LMNAHSD17B10ALOX15
Acetic Acid Isobutyl Ester SCHEMBL22678 0.76
SCHEMBL13356381 0.75 PRKCA (0.43) TDP1LMNASMN1; SMN2MAPTUSP2
SCHEMBL2160918 0.75 ALDH1A1 (0.39) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL3389759 0.75 ALDH1A1 (0.44) TSHRALDH1A1LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US claimed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP claimed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US claimed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP claimed
CN-120156034-A Composite dispergation preparation for catalyzing resin degradation and preparation method and application thereof 山东双圆生物科技有限公司 2025-06-17 CN disclosed
EP-3860562-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING OTIC THERAPEUTIC AGENTS AND RELATED METHODS Frequency Therapeutics, Inc. (US) 2021-08-11 EP disclosed
WO-2020072601-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING OTIC THERAPEUTIC AGENTS AND RELATED METHODS Frequency Therapeutics, Inc. (US) 2020-04-09 WO 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