SCHEMBL2160609

SCHEMBL2160609

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
ABCB1 P08183 1/20 0.35
PGD P52209 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.31
PRKCA P17252 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
SCHEMBL7150206 0.85 TDP1 (0.75) TDP1ABCB1PGDPOLBMAPK1
SCHEMBL12846719 0.85 TDP1 (0.75) TDP1ABCB1PGDPOLBMAPK1
SCHEMBL8723281 0.85 TDP1 (0.75) TDP1ABCB1PGDPOLBMAPK1
SCHEMBL19608784 0.81 TDP1 (0.44) TDP1ALDH1A1LMNATSHRHSD17B10
SCHEMBL4831682 0.81 TDP1 (0.58) TDP1ABCB1PGDPOLBMAPK1
SCHEMBL17620597 0.80 TDP1 (0.53) TDP1ABCB1PGDPOLBMAPK1
SCHEMBL9426447 0.79 TDP1 (0.67) TDP1ABCB1PGDPOLBMAPK1
SCHEMBL8447422 0.79 TDP1 (0.67) TDP1ABCB1PGDPOLBMAPK1
SCHEMBL421680 0.79 TDP1 (0.39) TDP1PGDTSHRTRPV1MAPT
SCHEMBL419520 0.78 TDP1 (0.38) TDP1PGDTSHRTRPV1

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 4 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 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