SCHEMBL15438544

SCHEMBL15438544

CC#CC(CC)(C(=O)O)P(=O)(OCC)OCC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
PPARD Q03181 1/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL15438224 0.86
SCHEMBL15438982 0.85 TSHR (0.35) TSHR
SCHEMBL15438461 0.79
SCHEMBL15438418 0.79 TSHR (0.34) TSHRSMN1; SMN2PPARDTP53TDP1
SCHEMBL15438083 0.78
SCHEMBL15438100 0.77
SCHEMBL15438111 0.77 TSHR (0.33) TSHR
SCHEMBL15438732 0.77 ALDH1A1 (0.41) TDP1
SCHEMBL8820544 0.71 TSHR (0.39) TSHRSMN1; SMN2PPARDTP53TDP1
SCHEMBL2079486 0.71 TSHR (0.39) TSHRSMN1; SMN2PPARDTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698859-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTRICITY-STORAGE DEVICE USING THE SAME UBE INDUSTRIES (JP) 2016-07-27 EP disclosed
US-9384906-B2 Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES, LTD. (JP) 2016-07-05 US disclosed
CN-103460495-B Nonaqueous electrolytic solution and employ the electric energy storage device of this nonaqueous electrolytic solution UBE INDUSTRIES, LTD. (JP) 2016-01-27 CN disclosed
EP-2698859-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME Ube Industries, Ltd. (JP) 2014-02-19 EP disclosed
US-20140030610-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-01-30 US disclosed
CN-103460495-A Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES 2013-12-18 CN disclosed