Fluoride

Fluoride

SCHEMBL8463241

CC(OC(F)(F)F)C(=O)O.F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL20564554 0.97 TP53 (0.36) TP53CYP1A2GAACYP2C9PKM
Fluoride SCHEMBL8466578 0.81 TP53 (0.32) TP53
Fluoride SCHEMBL11548115 0.78 THRB (0.32)
SCHEMBL8463233 0.77
SCHEMBL3974163 0.76 TP53 (0.32) TP53
SCHEMBL30322880 0.76 TP53 (0.32) TP53
SCHEMBL20592968 0.75 EPHX1 (0.33) CYP1A2CYP2C9CYP2C19
SCHEMBL28660890 0.75
SCHEMBL8953936 0.75 THRB (0.33) TP53
SCHEMBL6653346 0.75 TP53 (0.31) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960090-A1 CO-PRODUCTION OF PERFLUOROMETHYL PERFLUOROVINYL ETHER AND PERFLUOROETHYL PERFLUOROVINYL ETHER E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-12-01 EP disclosed
WO-1997044303-A1 CO-PRODUCTION OF PERFLUOROMETHYL PERFLUOROVINYL ETHER AND PERFLUOROETHYL PERFLUOROVINYL ETHER E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-27 WO disclosed