Fluoride

Fluoride

SCHEMBL30330951

CCCc1ccn(C)c1.F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
MGLL Q99685 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
INMT O95050 2/20 0.33
CA2 P00918 2/20 0.33
GLS O94925 2/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PLK1 P53350 1/20 0.31
CYP19A1 P11511 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
THRB P10828 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
SCHEMBL3859359 1.00
SCHEMBL30329965 0.87 CA2 (0.38) LPLLIPGMGLLCA2GLS
SCHEMBL13211848 0.86 HSD11B1 (0.40) LPLLIPGCA2CA1PLK1
Hydrochloric Acid SCHEMBL30330881 0.85 HSD11B1 (0.39) CA2CA1PLK1
SCHEMBL28176546 0.83 PTGS2 (0.47) LPLLIPGMGLL
SCHEMBL3192861 0.83 PTGS2 (0.47) LPLLIPGMGLL
SCHEMBL28162889 0.83 PTGS2 (0.47) LPLLIPGMGLL
Bromide SCHEMBL20548266 0.81 PTGS2 (0.46) LPLLIPGMGLL
Cyanide SCHEMBL30330747 0.81 HSD11B1 (0.37) MGLLCA2GLSCA1PLK1
Trifluoromethanesulfonic Acid SCHEMBL30329978 0.81 CA2 (0.34) CA2GLSCA12CA1CA9

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
WO-2023046704-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2023-03-30 WO disclosed