SCHEMBL2104442

SCHEMBL2104442

C#CC(OC(=O)OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CES1 P23141 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL2105131 0.82 KCNN4 (0.40) KCNN4CYP1A2CYP2D6CES1KMT2A
SCHEMBL2105596 0.82 KCNN4 (0.38) KCNN4CYP1A2CYP2D6CES1KMT2A
SCHEMBL2105267 0.81 KCNN4 (0.44) KCNN4CYP1A2CYP2D6CES1KMT2A
SCHEMBL27712205 0.79 KCNN4 (0.36) KCNN4CYP1A2CYP2D6CES1KMT2A
SCHEMBL26014557 0.76 KCNN4 (0.53) KCNN4CYP1A2CYP2D6CES1KMT2A
SCHEMBL11003717 0.76 KCNN4 (0.53) KCNN4CYP1A2CYP2D6CES1KMT2A
SCHEMBL11477055 0.76 CYP2C9 (0.42) KCNN4KMT2AMAPT
SCHEMBL21514965 0.74 ALDH1A1 (0.52) KCNN4CYP1A2CYP2D6CES1KMT2A
SCHEMBL11479674 0.73 PARP10 (0.39) KMT2AHPGDALDH1A1
SCHEMBL16732138 0.71 KCNN4 (0.48) KCNN4CYP1A2CYP2D6CES1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8530080-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2013-09-10 US disclosed
US-8440349-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20130052541-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES, LTD. (JP) 2013-02-28 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-20100239919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES, LTD. (JP) 2010-09-23 US disclosed
US-7754380-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-07-13 US disclosed
US-7629085-B2 sulfur-containing acid ester and an alkyne-containing compound; excellent battery characteristics in cycle performance, electric capacity and storage property; e.g. 2-propynyl methyl carbonate and 1,3-propanesultone UBE INDUSTRIES, LTD. (JP) 2009-12-08 US disclosed
CN-100517853-C Nonaqueous electrolytic solution for lithium secondary battery and lithium secondary battery using the same UBE INDUSTRIES (JP) 2009-07-22 CN disclosed
CN-100474688-C Nonaqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES (JP) 2009-04-01 CN disclosed
US-20090053598-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MU IONIC SOLUTIONS CORPORATION (JP) 2009-02-26 US disclosed
US-20070231707-A1 Nonaqueous Electrolytic Solution and Lithium Secondary Battery MU IONIC SOLUTIONS CORPORATION (JP) 2007-10-04 US disclosed
CN-1989647-A Nonaqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES (JP) 2007-06-27 CN disclosed
EP-1772924-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2007-04-11 EP disclosed
CN-1853307-A Nonaqueous electrolytic solution for lithium secondary battery and lithium secondary battery using the same UBE INDUSTRIES (JP) 2006-10-25 CN 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