SCHEMBL27769880

SCHEMBL27769880

O=S(O)OCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
NR4A2 P43354 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
MAOB P27338 12/20 0.48
PARP10 Q53GL7 1/20 0.48
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MAOA P21397 2/20 0.45

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
SCHEMBL778732 0.85 IDO1 (0.58) IDO1AGXTNR4A2HCAR2MAOB
SCHEMBL776842 0.79 IDO1 (0.51) IDO1AGXTNR4A2HCAR2MAOB
SCHEMBL776758 0.78 IDO1 (0.50) IDO1AGXTNR4A2HCAR2MAOB
SCHEMBL1787511 0.78 HCAR2 (0.64) IDO1AGXTNR4A2HCAR2MAOB
SCHEMBL27769913 0.77 IDO1 (0.48) IDO1AGXTNR4A2MAOBPARP10
SCHEMBL7701590 0.77 TSHR (0.48) IDO1AGXTNR4A2HCAR2
SCHEMBL779894 0.76 NR4A2 (0.49) IDO1AGXTNR4A2HCAR2MAOB
SCHEMBL778266 0.76 IDO1 (0.47) IDO1AGXTNR4A2HCAR2MAOB
Ammonia Solution, Strong SCHEMBL8697956 0.75 TSHR (0.46) IDO1AGXTNR4A2HCAR2
SCHEMBL28123754 0.75 FFAR1 (0.51) MMP1MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
CN-102097654-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2014-10-01 CN disclosed
CN-103259044-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2013-08-21 CN disclosed
CN-101432923-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2012-04-18 CN disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed