SCHEMBL5575529

SCHEMBL5575529

C=CCCCCCCOS(=O)(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.46
LPAR2 Q9HBW0 1/20 0.46
CA2 P00918 11/20 0.42
CA9 Q16790 11/20 0.42
CA1 P00915 10/20 0.38
CA12 O43570 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
TSHR P16473 2/20 0.38
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.34
USP2 O75604 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
SCHEMBL5571142 1.00 LPAR3 (0.46) LPAR3LPAR2CA2CA9CA1
SCHEMBL5575069 0.98 CA2 (0.43) LPAR3LPAR2CA2CA9CA1
SCHEMBL5571140 0.91 CA2 (0.45) LPAR3LPAR2CA2CA9CA1
SCHEMBL5572429 0.89 CA1 (0.46) CA2CA9CA1CA12CA3
SCHEMBL5571022 0.89 CA1 (0.46) CA2CA9CA1CA12CA3
SCHEMBL5572432 0.89 CA1 (0.46) CA2CA9CA1CA12CA3
SCHEMBL5574906 0.89 CA1 (0.46) CA2CA9CA1CA12CA3
SCHEMBL5574837 0.87 CA2 (0.43) CA2CA9CA1CA12CA3
SCHEMBL15221730 0.82 CA2 (0.60) CA2CA9
SCHEMBL5574156 0.82 CA2 (0.38) CA2CA9CA1CA12CA3

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