SCHEMBL2160941

SCHEMBL2160941

O=COCC(OC(=O)C1CC1)C(COC(=O)C1CC1)OC(=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL2161806 0.94 ADRB2 (0.41) ADRB2ADRB1ADRB3
SCHEMBL2161774 0.94 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL2161830 0.92 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL206557 0.72 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL9436624 0.71 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL812981 0.71 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL16217646 0.71 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL25477998 0.71 ADRB2 (0.42) ADRB2ADRB1ADRB3
SCHEMBL5379464 0.70 ADRB2 (0.31) ADRB2ADRB1ADRB3
SCHEMBL16217648 0.70 ADRB2 (0.43) ADRB2ADRB1ADRB3

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