SCHEMBL778850

SCHEMBL778850

O=S(O)(O)(c1ccccc1)C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.34
TRPV6 Q9H1D0 1/20 0.34
PTPN5 P54829 1/20 0.33
PTPN1 P18031 1/20 0.33
MAPK1 P28482 1/20 0.33
ACP3 P15309 1/20 0.33
HSD11B1 P28845 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CTRB1 P17538 1/20 0.30

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
SCHEMBL776612 0.76 CYP2D6 (0.31) MAPK1ALDH1A1TSHR
SCHEMBL778791 0.72 KMT2A (0.32) ALDH1A1TSHR
SCHEMBL775656 0.71 CES1 (0.38) CES1PTPN5PTPN1PGK1PGK2
SCHEMBL776323 0.68 CES1 (0.35) CES1PTPN5PTPN1HSD11B1ALDH1A1
SCHEMBL778297 0.68 CES1 (0.35) CES1PTPN5PTPN1HSD11B1ALDH1A1
SCHEMBL776012 0.68 PGR (0.33) CES1TSHRNPC1RAB9A
SCHEMBL6009579 0.67 CA2 (0.35) CES1ALDH1A1TSHR
SCHEMBL5042529 0.67 CES1 (0.33) CES1PTPN1ALDH1A1TSHR
SCHEMBL776409 0.67 CES1 (0.35) CES1PTPN1ALDH1A1TSHR
SCHEMBL278265 0.66 TSHR (0.39) CES1TRPV6ALDH1A1TSHR

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