SCHEMBL3129262

SCHEMBL3129262

CC1(C)CCCCC(C)(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL506194 0.93 ACHE (0.41) ACHEPOLB
SCHEMBL2692984 0.86 KDM4E (0.31) ACHE
SCHEMBL965199 0.80 ACHE (0.37) ACHEPOLBCES2CES1
SCHEMBL968768 0.78 ACHE (0.35) ACHEPOLB
SCHEMBL2458387 0.78 ACHE (0.40) ACHEPOLBCES2CES1
SCHEMBL8594481 0.75 ACHE (0.39) ACHEPOLBCES2CES1
SCHEMBL25973786 0.75 ACHE (0.35) ACHE
SCHEMBL1244972 0.75 ACHE (0.35) ACHEPOLB
SCHEMBL966903 0.73 ACHE (0.41) ACHEPOLB
SCHEMBL104646 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62167738-A None JP disclosed
JP-62087538-A None JP disclosed
JP-63010714-A None JP disclosed
EP-1372210-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2010-04-21 EP disclosed
US-7550233-B2 Nonaqueous electrolytic solution containing ketone compound and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2009-06-23 US disclosed
US-20040096748-A1 Nonaqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2004-05-20 US disclosed
EP-1372210-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2003-12-17 EP disclosed
EP-0193008-B1 CYCLOALKAN-1-OL DERIVATIVES AND PERFUME COMPOSITIONS COMPRISING THE SAME Kao Corporation (JP) 1990-03-14 EP disclosed
JP-S6310714-A PERFUMERY COMPOSITION KAO CORP 1988-01-18 JP disclosed
JP-S62167738-A 2,2,7,7-TETRAMETHYLCYCLOHEPTAN-1-OL AND PERFUME COMPOSITION CONTAINING THE SAME KAO CORP 1987-07-24 JP disclosed
JP-S6287538-A 1-ALLYL-2,2,7,7-TETRAMETHYLCYCLOHEPTAN-1-OL AND PERFUME COMPOSITION CONTAINING SAID COMPOUND KAO CORP 1987-04-22 JP disclosed
US-4631147-A Cycloalkan-1-ol derivatives and perfume compositions comprising the same KAO CORPORATION (JP) 1986-12-23 US disclosed
EP-0193008-A2 Cycloalkan-1-ol derivatives and perfume compositions comprising the same Kao Corporation (JP) 1986-09-03 EP disclosed