SCHEMBL778757

SCHEMBL778757

CCS(=O)(O)(O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
HTR7 P34969 1/20 0.37
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL3887585 0.80 ACHE (0.36) TDP1CES2CES1POLBLMNA
SCHEMBL778286 0.78 CES2 (0.34) TDP1CES2CES1PKMPTGS1
SCHEMBL778554 0.76 CES2 (0.38) CES2CES1MAPTLMNAPKM
SCHEMBL776991 0.75 PLOD2 (0.35) CES2CES1MAPTLMNAPTPN1
SCHEMBL776834 0.75 CA1 (0.41) TDP1HTR7CES2CES1MAPT
SCHEMBL777363 0.74 ORAI1 (0.42) CES2CES1PTPN1NPC1RAB9A
SCHEMBL777702 0.72 PKM (0.40) CES2CES1POLBMAPTPKM
SCHEMBL776406 0.71 TDP1 (0.40) TDP1POLBAPEX1MAPTLMNA
Alcohol SCHEMBL28041790 0.69 ACHE (0.53) HTR7CES2CES1LMNAPTPN1
SCHEMBL776868 0.68 ALDH1A1 (0.40) TDP1POLBLMNACYP1A2CYP2C9

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