SCHEMBL610461

SCHEMBL610461

CCC(F)CCOC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
MAPK1 P28482 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL610460 0.84 ALDH1A1 (0.40) CA2CA1CHRNB2CHRNA4CHRNB4
SCHEMBL5537593 0.81 CA1 (0.38) CA2CA1CHRNB2CHRNA4CHRNB4
SCHEMBL587476 0.80 GPR84 (0.32) CA2CA1CHRNB2CHRNA4CHRNB4
SCHEMBL575286 0.77
SCHEMBL4339438 0.77
SCHEMBL609975 0.77
SCHEMBL4444751 0.76 ALOX15 (0.40) MAPTCA2CA1CHRNB2CHRNA4
SCHEMBL1766915 0.74 CA2 (0.31) CA2CA1CHRNB2CHRNA4CHRNB4
SCHEMBL29031459 0.73
SCHEMBL3088926 0.72 ALOX15 (0.48) CA2CA1CHRNB2CHRNA4CHRNB4

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
US-20120045698-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-02-23 US disclosed
US-20120040252-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-02-16 US disclosed
EP-2278652-A2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery using the same Mitsubishi Chemical Corporation (JP) 2011-01-26 EP disclosed
US-7803487-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2010-09-28 US disclosed
US-20100216036-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-26 US disclosed
US-20080102375-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2008-05-01 US disclosed
EP-1898485-A1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2008-03-12 EP disclosed