SCHEMBL779939

SCHEMBL779939

CCCC(CC(F)(F)F)P(=O)(O)c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
MMP9 P14780 2/20 0.31
POLB P06746 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
ADAM9 Q13443 1/20 0.31
PTPN1 P18031 1/20 0.30
CYP3A4 P08684 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMPD2 O60906 1/20 0.30
SMPD1 P17405 1/20 0.30

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
SCHEMBL777621 0.81 POLB (0.41) POLBPTPN1KDM4EALDH1A1
SCHEMBL777509 0.80 CYP3A4 (0.35) POLBPTPN1CYP3A4ALDH1A1
SCHEMBL778730 0.70 FDPS (0.40)
SCHEMBL779815 0.69 FDPS (0.39)
SCHEMBL4132144 0.67 PTPN1 (0.38) POLBPTPN1CYP3A4
SCHEMBL777582 0.67 METAP1 (0.40)
SCHEMBL31485641 0.65 POLB (0.49) POLBPTPN1ALDH1A1
SCHEMBL29468526 0.65 ALDH1A1 (0.48) MMP9POLBMMP1MMP3ADAM17
SCHEMBL779468 0.65 CFTR (0.37) PTPN1CYP3A4ALDH1A1
SCHEMBL778742 0.65 FDPS (0.35)

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 7 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-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