SCHEMBL2161344

SCHEMBL2161344

CC(=O)OC(C)C#CC(C)OC=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9615770 0.84 TSHR (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1614415 0.77 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1614411 0.77 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2161355 0.76
SCHEMBL31688088 0.76 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31688091 0.76 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31688063 0.74 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL248623 0.73
SCHEMBL576505 0.73
SCHEMBL2161011 0.72 TSHR (0.50) TSHRMAPTSMN1; SMN2

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