SCHEMBL2978616

SCHEMBL2978616

C=CCC(=O)P(=O)(OCCC)OCCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
LPAR3 Q9UBY5 5/20 0.32
LPAR2 Q9HBW0 3/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LPAR1 Q92633 2/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2982728 0.84 CA12 (0.41) ALDH1A1TSHRCA12CA1CA2
SCHEMBL2987740 0.77 ALDH1A1 (0.39) ALDH1A1TSHRLPAR3LPAR2CA12
SCHEMBL2984917 0.76 TSHR (0.39) ALDH1A1TSHRHPGDLPAR3LPAR2
SCHEMBL2978635 0.75 ALDH1A1 (0.38) ALDH1A1TSHRLPAR3LPAR2CA12
SCHEMBL2988581 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11322703 0.70 TSHR (0.32) ALDH1A1TSHRLPAR3LPAR2MEN1
SCHEMBL10395318 0.70 MEN1 (0.38) ALDH1A1TSHRLPAR3LPAR2CA12
SCHEMBL18166783 0.70 ALDH1A1 (0.44) ALDH1A1TSHRLPAR3LPAR2CA12
SCHEMBL2983513 0.70 ALDH1A1 (0.40) ALDH1A1TSHRLPAR3LPAR2CA12
SCHEMBL17707282 0.69 MEN1 (0.36) ALDH1A1TSHRLPAR3LPAR2CA12

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-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed