SCHEMBL2945903

SCHEMBL2945903

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
ACHE P22303 14/20 0.43
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38

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
SCHEMBL2946730 0.92 ALDH1A1 (0.50) ALDH1A1ATMACHEHPGDTSHR
SCHEMBL2939738 0.92 ALDH1A1 (0.54) ALDH1A1ATMACHEHPGDTSHR
SCHEMBL2945262 0.88 ACHE (0.35) ALDH1A1ACHEHPGDTSHREPHX1
SCHEMBL2946411 0.86 EPHX1 (0.50) ALDH1A1ACHETSHREPHX1HCAR2
SCHEMBL2945057 0.86 NAAA (0.52) ALDH1A1ACHETSHREPHX1HCAR2
SCHEMBL2946737 0.85 EPHX1 (0.53) ALDH1A1ACHETSHREPHX1HCAR2
SCHEMBL2944105 0.85 EPHX1 (0.53) ALDH1A1ACHETSHREPHX1HCAR2
SCHEMBL2944070 0.85 EPHX1 (0.53) ALDH1A1ACHETSHREPHX1HCAR2
SCHEMBL2945197 0.85 EPHX1 (0.53) ALDH1A1ACHETSHREPHX1HCAR2
SCHEMBL2945925 0.85 EPHX1 (0.53) ALDH1A1ACHETSHREPHX1HCAR2

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-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed