SCHEMBL608279

SCHEMBL608279

CCCOC(=O)OC(F)(F)CF

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.32
CES2 O00748 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL892958 0.83 ALDH1A1 (0.50) ALDH1A1LMNATSHRGAA
SCHEMBL21246501 0.81 HTT (0.30)
SCHEMBL892376 0.78
SCHEMBL27473222 0.74 HCAR2 (0.39) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL4736567 0.74 HCAR2 (0.39) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL702890 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL16212442 0.73
SCHEMBL17057 0.72 ALDH1A1 (0.56) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL15822328 0.72 CYP3A4 (0.36) ALDH1A1LMNATSHRTDP1
SCHEMBL13923768 0.72 CES1 (0.33) HCAR2ALDH1A1LMNA

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 5 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
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