SCHEMBL1787181

SCHEMBL1787181

O=C(OCc1c(F)cc(F)cc1F)OCc1c(F)cc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.51
MMP2 P08253 3/20 0.51
MMP9 P14780 2/20 0.51
MMP12 P39900 2/20 0.51
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
RIPK1 Q13546 1/20 0.38
ERN1 O75460 1/20 0.36
GRIN2B Q13224 1/20 0.35
PTGER1 P34995 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CNR1 P21554 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOB P27338 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
SCHEMBL1787182 0.85 MMP1 (0.50) MMP1MMP2MMP9MMP12CES2
SCHEMBL25238748 0.83 MMP1 (0.49) MMP1MMP2MMP9MMP12CES2
SCHEMBL25840103 0.83 MMP1 (0.49) MMP1MMP2MMP9MMP12CES2
SCHEMBL24961275 0.79 MMP1 (0.46) MMP1MMP2MMP9MMP12CES2
SCHEMBL29028616 0.77 MMP1 (0.44) MMP1MMP2MMP9MMP12CES2
SCHEMBL6666497 0.77 MMP1 (0.44) MMP1MMP2MMP9MMP12RIPK1
SCHEMBL1793312 0.76 CNR1 (0.37) MMP1MMP2MMP9MMP12CES2
SCHEMBL17552783 0.76 RIPK1 (0.55) MMP1MMP2MMP9MMP12RIPK1
SCHEMBL1791163 0.76 IDO1 (0.52) MMP1MMP2MMP9MMP12CES2
SCHEMBL20930091 0.75 MMP1 (0.43) MMP1MMP2MMP9MMP12RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed