SCHEMBL5571069

SCHEMBL5571069

C=CCS(=O)(=O)OCCCCCCOS(=O)(=O)CC=C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.42
CA9 Q16790 15/20 0.42
CA1 P00915 15/20 0.42
CA12 O43570 5/20 0.42
CA7 P43166 5/20 0.42
CA14 Q9ULX7 5/20 0.42
CA3 P07451 4/20 0.42
CA4 P22748 4/20 0.42
CA6 P23280 4/20 0.42
CA5A P35218 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 2/20 0.34
GLA P06280 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
SCHEMBL5570908 1.00 CA2 (0.42) CA2CA9CA1CA12CA7
SCHEMBL5572565 1.00 CA2 (0.42) CA2CA9CA1CA12CA7
SCHEMBL5570905 1.00 CA2 (0.42) CA2CA9CA1CA12CA7
SCHEMBL5571536 0.98 CA2 (0.40) CA2CA9CA1CA12CA7
SCHEMBL5570901 0.93 CA2 (0.38) CA2CA9CA1CA12CA7
SCHEMBL367216 0.90 CA1 (0.52) CA2CA9CA1CA12CA7
SCHEMBL5857046 0.90 CA1 (0.52) CA2CA9CA1CA12CA7
SCHEMBL27822399 0.90 CA1 (0.52) CA2CA9CA1CA12CA7
SCHEMBL28600381 0.88 CA1 (0.50) CA2CA9CA1CA12CA7
SCHEMBL28405693 0.88 CA1 (0.50) CA2CA9CA1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9496585-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-11-15 US disclosed
US-9496585-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-11-15 US disclosed
US-20130224578-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-29 US disclosed
US-20130224578-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-29 US disclosed
WO-2012053485-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE BATTERY USING SAME 三菱化学株式会社 (JP) 2012-04-26 WO disclosed