Fluoride

Fluoride

SCHEMBL28490002

CCOP(=O)(O)OC.F.F.F.F.F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PPARD Q03181 2/20 0.44
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLA2G2A P14555 1/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL887550 0.97
Ammonia Solution, Strong SCHEMBL26929057 0.95
Diethyl Hydrogen Phosphate SCHEMBL22471870 0.90 TSHR (0.46) TSHRPPARDTP53TDP1PLA2G2A
Diethyl Hydrogen Phosphate SCHEMBL10643691 0.87 TSHR (0.43) TSHRPPARDTP53TDP1PLA2G2A
SCHEMBL26383509 0.85 PPARD (0.46) TSHRPPARDTP53TDP1PLA2G2A
SCHEMBL13895152 0.83 PPARD (0.45) TSHRPPARDTP53TDP1PLA2G2A
Diethyl Hydrogen Phosphate SCHEMBL93056 0.83
Diethyl Hydrogen Phosphate SCHEMBL27294237 0.83 TSHR (0.56) TSHRPPARDTP53TDP1CA12
SCHEMBL8413442 0.83 PPARD (0.36) TSHRPPARDTP53TDP1PLA2G2A
SCHEMBL30589547 0.81 TSHR (0.42) TSHRPPARDTP53TDP1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111971842-A Electrolyte for electricity storage device and nonaqueous electrolyte 富山药品工业株式会社 2020-11-20 CN disclosed