SCHEMBL2106728

SCHEMBL2106728

C#C[C](C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
TSHR P16473 3/20 0.41
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
LMNA P02545 2/20 0.39
F2 P00734 2/20 0.39
ALDH1A1 P00352 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ESR1 P03372 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL16952021 0.78 CES2 (0.50) CES2CES1TSHRMAOAMAOB
SCHEMBL16956325 0.78 HTT (0.47) TSHRMAOAMAOBALDH1A1MAPT
SCHEMBL6237196 0.74 ALDH1A1 (0.42) CES2CES1TSHRLMNAALDH1A1
SCHEMBL11880182 0.72 CES1 (0.41) CES2CES1TSHRMAOAMAOB
SCHEMBL2106149 0.72 CES1 (0.41) CES2CES1TSHRMAOAMAOB
Propyne SCHEMBL29248961 0.70 ESR1 (0.43) CES2CES1TSHRMAOAMAOB
SCHEMBL149632 0.69
SCHEMBL28408672 0.69 TSHR (0.46) CES2CES1TSHRMAOAMAOB
Acetophenone SCHEMBL27805625 0.69 MAPT (0.56) CES2CES1TSHRMAOBLMNA
SCHEMBL1498036 0.68 MAOA (0.44) CES2CES1TSHRMAOAMAOB

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 18 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-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
EP-1772924-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2013-04-10 EP 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
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
EP-1772924-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2007-04-11 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
EP-0275760-A1 Substituted piperidines or azepines, their preparation and their therapeutical use RIOM LABORATOIRES- C.E.R.M. "R.L.-CERM" - (S.A.) (FR) 1988-07-27 EP disclosed