SCHEMBL2160886

SCHEMBL2160886

CC(=O)OCC(C)COC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
PTPN1 P18031 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 4/20 0.32
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 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
SCHEMBL9756912 0.84 TDP1 (0.48) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL3388437 0.82 ALOX15 (0.54) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL3388433 0.82 ALOX15 (0.46) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL21518266 0.82 CA1 (0.36)
SCHEMBL17549743 0.82 TSHR (0.39) TDP1ALOX15ALDH1A1LMNAHSD17B10
Acetic Acid SCHEMBL27536519 0.80 TDP1 (0.45) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL3389429 0.80 ALOX15 (0.40) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL3389432 0.80 ALOX15 (0.44) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL3391433 0.78 ALOX15 (0.39) TDP1ALOX15ALDH1A1LMNASMN1; SMN2
SCHEMBL3391435 0.78 ALOX15 (0.42) ALOX15ALDH1A1LMNASMN1; SMN2USP2

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
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
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