SCHEMBL2421173

SCHEMBL2421173

CCCCCOC(N)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.38
CA2 P00918 10/20 0.38
CA9 Q16790 9/20 0.38
CA12 O43570 4/20 0.37
LPAR3 Q9UBY5 3/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
DNM1 Q05193 1/20 0.35
THRB P10828 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5586422 0.83 FDPS (0.39) CA1CA2CA9CA12CA7
SCHEMBL2423646 0.81 CA1 (0.31) CA1CA2TSHR
SCHEMBL27725807 0.81 ADRB2 (0.39) CA1CA2ADRB2ADRB1ADRB3
SCHEMBL6610038 0.80 CA1 (0.38) CA1CA2CA9CA12LPAR3
SCHEMBL3263695 0.78 CA1 (0.37) CA1CA2CA9CA12LPAR3
SCHEMBL1817037 0.78 CA1 (0.40) CA1CA2CA9CA12LPAR3
SCHEMBL28468879 0.78 CA1 (0.40) CA1CA2CA9CA12LPAR3
SCHEMBL10626082 0.78 CA1 (0.40) CA1CA2CA9CA12LPAR3
SCHEMBL28644993 0.78 CA1 (0.40) CA1CA2CA9CA12LPAR3
SCHEMBL9750843 0.77 TSHR (0.39) CA1CA2CA9CA12LPAR3

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
EP-1689016-B1 ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE LITHIUM SECONDARY BATTERY COMPRISING THE SAME STELLA CHEMIFA CORP (JP) 2011-09-21 EP disclosed
US-7700243-B2 Electrolyte solution and nonaqueous electrolyte lithium secondary battery OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20070037064-A1 contains N,N-diethyl-N-methyl-N-methoxymethylammonium Chloride OTSUKA CHEMICAL CO., LTD. (JP) 2007-02-15 US disclosed
EP-1689016-A1 ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE LITHIUM SECONDARY BATTERY Stella Chemifa Corporation (JP) 2006-08-09 EP disclosed