SCHEMBL2106846

SCHEMBL2106846

CCOC(=O)OC(C)(C)C#CC#CC(C)(C)OC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SOAT1 P35610 1/20 0.44
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
PKM P14618 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP2C19 P33261 1/20 0.32
THRB P10828 1/20 0.32
CYP4F2 P78329 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
SCHEMBL2105422 0.91 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL14776493 0.86 ALDH1A1 (0.46) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL7933321 0.80 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL2105662 0.79 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL4759769 0.77 ALDH1A1 (0.41) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL2105691 0.76 DGAT1 (0.33)
SCHEMBL187396 0.75 ALDH1A1 (0.60) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL12315227 0.75 ALDH1A1 (0.60) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL31454063 0.75 FFAR1 (0.39) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL2105337 0.74 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2369670-B1 Non-aqueous electrolytic solution for lithium secondary battery and lithium secondary battery using the same UBE INDUSTRIES (JP) 2016-03-23 EP disclosed
US-8722255-B2 Non-aqueous electrolytic solution for lithium secondary battery and lithium secondary battery using the same UBE INDUSTRIES, LTD. (JP) 2014-05-13 US disclosed
US-20120183864-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES, LTD. (JP) 2012-07-19 US disclosed
US-8163427-B2 Nonaqueous electrolytic solution for lithium secondary battery and lithium secondary battery using the same UBE INDUSTRIES, LTD. (JP) 2012-04-24 US disclosed
EP-2369670-A1 Non-aqueous electrolytic solution for lithium secondary battery and lithium secondary battery using the same Ube Industries, Ltd. (JP) 2011-09-28 EP disclosed
US-20060177742-A1 Nonaqueous electrolytic solution for lithium secondary battery and lithium secondary battery using the same MU IONIC SOLUTIONS CORPORATION (JP) 2006-08-10 US disclosed
EP-1650826-A1 NONAQUEOUS ELECTROLYTIC SOLUTION FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-04-26 EP disclosed