SCHEMBL776845

SCHEMBL776845

O=S(=O)(O)c1ccc(Cc2cccc(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 1/20 0.38
SNCA P37840 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NT5E P21589 1/20 0.36
PTPN1 P18031 1/20 0.36
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
RIPK1 Q13546 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.35
BRS3 P32247 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
CES2 O00748 1/20 0.34

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
SCHEMBL780161 0.87 CA1 (0.47) CA1CA2LMNATSHRSMN1; SMN2
SCHEMBL10476233 0.75 MAOB (0.50) SMN1; SMN2SNCA
SCHEMBL3306943 0.75 HTR2A (0.50) LMNASMN1; SMN2ALDH1A1PTPN1CYP2D6
SCHEMBL28353192 0.75 TSHR (0.47) CA1CA2LMNATSHRSMN1; SMN2
SCHEMBL17508128 0.75 PTGER4 (0.38) LMNASMN1; SMN2SNCAAKR1B1ALDH1A1
SCHEMBL780395 0.74 HTR2A (0.51) CA1CA2SMN1; SMN2CA9TAS2R14
SCHEMBL9619529 0.74 LMNA (0.56) CA1CA2LMNATSHRSMN1; SMN2
SCHEMBL624626 0.74 CHRM5 (0.39) SNCABRS3
SCHEMBL7938600 0.74 SNCA (0.46) LMNASMN1; SMN2SNCACYP2D6
SCHEMBL779325 0.74 LMNA (0.43) CA1CA2LMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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