SCHEMBL778554

SCHEMBL778554

CCS(=O)(O)(O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PARP1 P09874 1/20 0.36
MAPT P10636 1/20 0.35
RIPK1 Q13546 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL778286 0.80 CES2 (0.34) CES2CES1PKMPTGS1
SCHEMBL776568 0.79 CES2 (0.36) CES2CES1ACHEMEN1KMT2A
SCHEMBL776989 0.79 CES2 (0.42) CES2CES1ACHEMEN1KMT2A
SCHEMBL776687 0.78 CES2 (0.45) CES2CES1ACHEMEN1KMT2A
SCHEMBL778757 0.76 TDP1 (0.41) CES2CES1ACHEMEN1KMT2A
SCHEMBL779125 0.73 CES2 (0.41) CES2CES1ACHEMEN1KMT2A
SCHEMBL776759 0.71 RIPK1 (0.42) MEN1KMT2ARIPK1TAAR1
SCHEMBL777702 0.70 PKM (0.40) CES2CES1MAPTRIPK1PKM
SCHEMBL779895 0.70 PPARG (0.43) MEN1KMT2ATAAR1
Alcohol SCHEMBL27895762 0.68 ACHE (0.52) CES2CES1ACHEMEN1KMT2A

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-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed