SCHEMBL2161397

SCHEMBL2161397

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
USP2 O75604 3/20 0.33
CYP3A4 P08684 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
RECQL P46063 1/20 0.31
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL2161005 0.84 TDP1 (0.39) TDP1ALOX15MAPTALDH1A1USP2
SCHEMBL12122472 0.76 ALDH1A1 (0.42) TDP1ALOX15MAPTALDH1A1USP2
SCHEMBL15542043 0.76 ALDH1A1 (0.42) TDP1ALOX15MAPTALDH1A1USP2
SCHEMBL15541862 0.76 TDP1 (0.42) TDP1ALOX15MAPTALDH1A1USP2
SCHEMBL9756912 0.75 TDP1 (0.48) TDP1ALOX15MAPTALDH1A1USP2
SCHEMBL2160886 0.75 TDP1 (0.38) TDP1ALOX15MAPTALDH1A1USP2
SCHEMBL3392019 0.74 ALDH1A1 (0.45) ALOX15MAPTALDH1A1USP2CYP3A4
SCHEMBL14145611 0.74 TDP1 (0.41) TDP1ALOX15MAPTALDH1A1USP2
SCHEMBL309720 0.73
SCHEMBL12239784 0.73

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