SCHEMBL15438451

SCHEMBL15438451

CCOC(=O)C(=O)OCCOC(=O)CP(=O)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
PPARD Q03181 1/20 0.38
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
THRB P10828 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 4/20 0.32
DGKA P23743 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15438305 0.93 TSHR (0.36) TSHRPPARDMGAMGAASI
SCHEMBL6669420 0.91 TSHR (0.46) TSHRPPARDMGAMGAASI
SCHEMBL15438263 0.90 TSHR (0.36) TSHRPPARDMGAMGAASI
SCHEMBL15438888 0.86 ALDH1A1 (0.35) TSHRMGAMGAASIMGAM2
SCHEMBL15438595 0.85 TSHR (0.41) TSHRPPARDMGAMGAASI
SCHEMBL1331297 0.85 TSHR (0.48) TSHRPPARDMGAMGAASI
SCHEMBL16047 0.85 TSHR (0.48) TSHRPPARDMGAMGAASI
SCHEMBL18759661 0.85 TSHR (0.48) TSHRPPARDMGAMGAASI
SCHEMBL15439318 0.84 TSHR (0.48) TSHRPPARDTHRBCA12CA1
SCHEMBL15449292 0.84 TSHR (0.40) TSHRPPARDMGAMGAASI

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