SCHEMBL781469

SCHEMBL781469

C=CP(=O)(OCC)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAM9 Q13443 1/20 0.40
AOX1 Q06278 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NR1I2 O75469 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CA12 O43570 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
SCHEMBL778418 0.85 MEN1 (0.40) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL779743 0.81 NFE2L2 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL778165 0.81 HTT (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL777946 0.78 NPSR1 (0.43) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL29468629 0.78 MEN1 (0.53) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL780087 0.78 MEN1 (0.53) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL776427 0.76 AOX1 (0.54) AOX1NPSR1NR1I2KMT2AMEN1
SCHEMBL575275 0.76 NPSR1 (0.42) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL779768 0.75 AOX1 (0.41) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL776821 0.73 MEN1 (0.45) MMP9MMP1MMP3ADAM17ADAM9

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
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-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