SCHEMBL779202

SCHEMBL779202

O=P(OCC(F)(F)F)(OCC(F)(F)F)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 2/20 0.33
FDPS P14324 1/20 0.31
MMP9 P14780 2/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
ADAM17 P78536 1/20 0.30
ADAM9 Q13443 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL29468571 1.00 HTT (0.40) HTTSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL779383 0.90 HTT (0.37) HTTSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL779552 0.86 HTT (0.40) HTTSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL779469 0.83 HTT (0.38) HTTSMN1; SMN2CYP3A4MMP9MMP1
SCHEMBL779899 0.83 HTT (0.38) HTTSMN1; SMN2CYP3A4
SCHEMBL29468608 0.83 HTT (0.38) HTTSMN1; SMN2CYP3A4
SCHEMBL4119138 0.81 HTT (0.39) HTTSMN1; SMN2MEN1KMT2A
SCHEMBL777510 0.80 HTT (0.37) HTTSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL781243 0.80 MEN1 (0.40) HTTSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL778165 0.79 HTT (0.36) HTTSMN1; SMN2MMP9MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 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