Fluoride

Fluoride

SCHEMBL9841316

CCCOc1ccc(COc2ccc([S])cc2)cc1.CCCOc1ccc(COc2ccc([S])cc2)cc1.CCCOc1ccc(COc2ccc([S])cc2)cc1.CCCOc1ccc(COc2ccc([S])cc2)cc1.CCCOc1ccc(COc2ccc([S])cc2)cc1.F.F.F.F.F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.49
LTA4H P09960 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
CHRNA7 P36544 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
Fluoride SCHEMBL9841619 0.93 APP (0.49) APPLTA4HCHRNA7
Fluoride SCHEMBL9841299 0.90 NR5A1 (0.54) APPLTA4HHRH3
Fluoride SCHEMBL9841296 0.88 NR5A1 (0.57) LTA4HLMNA
Fluoride SCHEMBL9841761 0.88 NR5A1 (0.57) LTA4HLMNA
Fluoride SCHEMBL9841487 0.87 LMNA (0.56) LTA4HHRH3CHRNA7LMNAL3MBTL1
SCHEMBL1806727 0.87 LTA4H (0.55) LTA4HLMNAL3MBTL1HTTHSD17B10
Fluoride SCHEMBL9841526 0.86 HRH3 (0.48) APPLTA4HHRH3
Fluoride SCHEMBL9841601 0.85 NQO1 (0.54) APPLTA4HLMNAL3MBTL1
Fluoride SCHEMBL9841293 0.85 RXRA (0.57) APPHRH3L3MBTL1
Fluoride SCHEMBL9841773 0.83 HRH3 (0.52) LTA4HHRH3LMNA

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
US-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed