SCHEMBL3392022

SCHEMBL3392022

CC(=O)OC(C)CCCOC=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
GALR3 O60755 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 5/20 0.36
TRPV1 Q8NER1 1/20 0.35
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL3389764 0.95 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2160919 0.89 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28084284 0.80 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28084282 0.80 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3389429 0.79 ALOX15 (0.40) MAPTSMN1; SMN2ALOX15
SCHEMBL10937757 0.79 ALDH1A1 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4435634 0.79 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4443385 0.78 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11425834 0.78 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5610948 0.78 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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