SCHEMBL15439167

SCHEMBL15439167

CCOP(=O)(CC(=O)OCCCOC)OCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PPARD Q03181 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NAAA Q02083 1/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
P2RY10 O00398 4/20 0.33
GPR34 Q9UPC5 2/20 0.33
DGKA P23743 1/20 0.32

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
SCHEMBL15437991 0.94 TSHR (0.43) TSHRPPARDCA12CA1CA2
SCHEMBL15438827 0.91 NAAA (0.44) TSHRPPARDCA12CA1CA2
SCHEMBL15438595 0.89 TSHR (0.41) TSHRPPARDCA12CA1CA2
SCHEMBL5728306 0.87 NAAA (0.46) TSHRPPARDNAAAALDH1A1DGKA
SCHEMBL6669420 0.87 TSHR (0.46) TSHRPPARDCA12CA1CA2
SCHEMBL15438305 0.86 TSHR (0.36) TSHRPPARDCA12CA1CA2
SCHEMBL2049385 0.84 CYP3A4 (0.44) TSHRNAAAALDH1A1DGKA
SCHEMBL2349921 0.84 NAAA (0.56) TSHRNAAADGKA
SCHEMBL2352860 0.84 NAAA (0.56) TSHRNAAADGKA
SCHEMBL2357450 0.84 NAAA (0.56) TSHRNAAADGKA

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-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
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