SCHEMBL5570909

SCHEMBL5570909

C#CCS(=O)(=O)OCCCOS(=O)(=O)CC#C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.38
CA9 Q16790 8/20 0.38
CA1 P00915 9/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 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
SCHEMBL5572287 0.95 CA2 (0.40) CA2CA9CA1KDM4EUSP2
SCHEMBL5574751 0.93 CA2 (0.42) CA2CA9CA1KDM4EUSP2
SCHEMBL15221754 0.93 CA2 (0.42) CA2CA9CA1KDM4EUSP2
SCHEMBL15221753 0.93 CA2 (0.42) CA2CA9CA1KDM4EUSP2
SCHEMBL5570911 0.93 CA2 (0.42) CA2CA9CA1KDM4EUSP2
SCHEMBL5572813 0.90 CA2 (0.41) CA2CA9
SCHEMBL28809081 0.87 CA2 (0.48) CA2CA9CA1KDM4EUSP2
SCHEMBL28722757 0.79 CA2 (0.43) CA2CA9CA1
SCHEMBL5573377 0.79 CA2 (0.36) CA2CA9
SCHEMBL5574473 0.77 CA2 (0.34) CA2CA9CA1CA12CA4

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