SCHEMBL776406

SCHEMBL776406

CCS(=O)(O)(O)Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
IDO1 P14902 3/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
RIPK1 Q13546 2/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35

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
SCHEMBL778082 0.87 IDO1 (0.42) TDP1POLBAPEX1LMNAIDO1
SCHEMBL776421 0.79 IDO1 (0.39) TDP1POLBAPEX1LMNAHPGD
SCHEMBL776759 0.78 RIPK1 (0.42) IDO1RIPK1ALDH1A1TAAR1
SCHEMBL776954 0.77 IDO1 (0.35) LMNAHPGDKDM4EIDO1LOXL2
SCHEMBL778757 0.71 TDP1 (0.41) TDP1POLBAPEX1LMNAHPGD
SCHEMBL776868 0.69 ALDH1A1 (0.40) TDP1POLBLMNAKDM4EALDH1A1
Alcohol SCHEMBL28041790 0.67 ACHE (0.53) LMNAIDO1LOXL2TRPA1ALDH1A1
SCHEMBL131869 0.65
SCHEMBL13925528 0.65
Formaldehyde SCHEMBL28062945 0.64 LMNA (0.64) TDP1POLBAPEX1LMNAKDM4E

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-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 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