SCHEMBL1790735

SCHEMBL1790735

O=C(O)OCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
IDO1 P14902 2/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAOB P27338 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL1790733 0.86 ALDH1A1 (0.58) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28702044 0.86 ALDH1A1 (0.58) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28702045 0.85 ALDH1A1 (0.53) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL5052034 0.82 ALDH1A1 (0.54) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL30211075 0.82 ALDH1A1 (0.64) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL5766366 0.82 ALDH1A1 (0.64) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL3231685 0.82 ALDH1A1 (0.59) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL7816660 0.82 ALDH1A1 (0.55) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL19765221 0.81 ALDH1A1 (0.54) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL2577721 0.80 ALDH1A1 (0.50) ALDH1A1MMP1MMP2MMP9MMP12

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 14 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
EP-2701230-B1 NON-AQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING THE SAME, AND TRIFLUOROMETHYLBENZENE COMPOUND UBE INDUSTRIES (JP) 2016-11-23 EP disclosed
US-9472828-B2 Nonaqueous electrolyte solution, electricity storage device using same, and trifluoromethylbenzene compound UBE INDUSTRIES, LTD. (JP) 2016-10-18 US 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
EP-2701230-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND TRIFLUOROMETHYLBENZENE COMPOUND Ube Industries, Ltd. (JP) 2014-02-26 EP disclosed
US-20140038060-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND TRIFLUOROMETHYLBENZENE COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-02-06 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