SCHEMBL778277

SCHEMBL778277

O=S(=O)(O)c1ccccc1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.41
HSD11B1 P28845 3/20 0.39
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
MMP14 P50281 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TTR P02766 2/20 0.35
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 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
Hydrochloric Acid SCHEMBL28128783 0.98 MYC (0.40) MYCHSD11B1MMP1MMP2MMP3
SCHEMBL779322 0.85 HSD11B1 (0.40) MYCHSD11B1MMP1MMP2MMP3
SCHEMBL11848696 0.84 MYC (0.43) MYCHSD11B1MMP1MMP2MMP3
SCHEMBL5590959 0.82 MYC (0.46) MYCHSD11B1MMP1MMP2MMP3
SCHEMBL31564881 0.82 MYC (0.46) MYCHSD11B1MMP1MMP2MMP3
SCHEMBL5550543 0.82 MYC (0.37) MYCHSD11B1TSHRTTRALDH1A1
SCHEMBL776735 0.81 MYC (0.39) MYCHSD11B1MMP1MMP2MMP3
SCHEMBL29704099 0.81 CA2 (0.46) CA2
SCHEMBL3528916 0.81 CA2 (0.46) CA2
SCHEMBL8905178 0.80 MYC (0.38) MYCHSD11B1MMP1MMP2MMP3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115701423-A Preparation method of trifluoroethyl sulfide (sulfoxide) substituted benzene compound and intermediate thereof 沈阳化工大学 2023-02-10 CN claimed
CN-115701423-A Preparation method of trifluoroethyl sulfide (sulfoxide) substituted benzene compound and intermediate thereof 沈阳化工大学 2023-02-10 CN disclosed
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
EP-0281907-A1 Thiazolyl ether and thioether derivatives BAYER AG (DE) 1988-09-14 EP disclosed
EP-0273242-A2 2-Pyri(mi)dylthio-aryl ether BAYER AG (DE) 1988-07-06 EP disclosed
US-4700006-A FUNGICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-10-13 US disclosed
US-4609669-A AGRICULTURE, HORTICULTURE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-09-02 US disclosed
EP-0175188-A1 Carbamoylimidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-26 EP disclosed
EP-0097270-B1 ORGANOPHOSPHATE DERIVATIVES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-08-28 EP disclosed
EP-0097270-A1 Organophosphate derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-01-04 EP disclosed