SCHEMBL777260

SCHEMBL777260

CC[S+]([O-])Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CALM1 P0DP23 1/20 0.38
TSHR P16473 5/20 0.36
ALDH1A1 P00352 3/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
IDO1 P14902 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR2 P34972 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
SCHEMBL11023124 0.93 TP53 (0.44) TP53SLC6A2TAAR1CALM1TSHR
Ethane SCHEMBL7199050 0.85 TP53 (0.43) TP53SLC6A2TAAR1CALM1TSHR
SCHEMBL340372 0.85 CALM1 (0.45) TP53SLC6A2TAAR1CALM1TSHR
Benzene SCHEMBL11030926 0.85 CALM1 (0.45) TP53SLC6A2TAAR1CALM1TSHR
SCHEMBL5320699 0.82 TP53 (0.42) TP53SLC6A2TAAR1CALM1TSHR
SCHEMBL6503361 0.80 CALM1 (0.41) TP53SLC6A2TAAR1CALM1TSHR
SCHEMBL17104769 0.79 TP53 (0.39) TP53CES2CES1
Dimethyl Sulfone SCHEMBL10952244 0.77 CA2 (0.40) TP53CES2CES1CYP3A4CNR2
SCHEMBL775516 0.77 LMNA (0.41) TAAR1IDO1LOXL2TRPA1TDP1
SCHEMBL19063505 0.77 TP53 (0.42) TP53SLC6A2TAAR1ALDH1A1LOXL2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4512989-A IMIDOESTERS OR IMIDOTHIOESTERS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1985-04-23 US claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
EP-2772981-B1 NON-AQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-10-21 EP disclosed
US-10644353-B2 Non-aqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-05-05 US disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 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
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
WO-2008106226-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-4512989-A IMIDOESTERS OR IMIDOTHIOESTERS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1985-04-23 US disclosed
US-4403054-A SULFOXIDE COMPOUND OR SULFINYL-CONTAINING POLYMER GENERAL ELECTRIC COMPANY (US) 1983-09-06 US disclosed