SCHEMBL15438445

SCHEMBL15438445

CCOP(=O)(CC(=O)OC(C)C#CC(C)OC(=O)CP(=O)(OCC)OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
PPARD Q03181 2/20 0.39
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 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
SCHEMBL15438084 0.91 TSHR (0.41) TSHRPPARDMAPTMAPK1
SCHEMBL15438017 0.88 TSHR (0.41) TSHRPPARDMAPTMAPK1
SCHEMBL15438284 0.88 TSHR (0.41) TSHRPPARDMAPTMAPK1
SCHEMBL15438836 0.85 TSHR (0.43) TSHRPPARDMAPTMAPK1TP53
SCHEMBL11529908 0.85 TSHR (0.43) TSHRPPARDMAPTMAPK1TP53
SCHEMBL11427698 0.81 TSHR (0.40) TSHRPPARDMAPTMAPK1TP53
SCHEMBL17937994 0.80 TSHR (0.39) TSHRPPARDMAPTMAPK1TP53
SCHEMBL11447296 0.80 TSHR (0.39) TSHRPPARDMAPTMAPK1TP53
SCHEMBL21409932 0.79 TSHR (0.33) TSHRPPARD
SCHEMBL15438370 0.79 TSHR (0.38) TSHRPPARDMAPTMAPK1TDP1

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
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
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