Fluoride

Fluoride

SCHEMBL9841526

CCCc1ccc(COc2ccc([S])cc2)cc1.CCCc1ccc(COc2ccc([S])cc2)cc1.CCCc1ccc(COc2ccc([S])cc2)cc1.CCCc1ccc(COc2ccc([S])cc2)cc1.CCCc1ccc(COc2ccc([S])cc2)cc1.F.F.F.F.F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
GPR84 Q9NQS5 1/20 0.48
APP P05067 1/20 0.46
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAOB P27338 3/20 0.45
BCHE P06276 1/20 0.44
FFAR1 O14842 1/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 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 SCHEMBL9841773 0.90 HRH3 (0.52) HRH3BCHELTA4HEPHX2
SCHEMBL16440937 0.89 APP (0.56) HRH3APPSENP8SENP7SENP6
Fluoride SCHEMBL9841357 0.88 HRH3 (0.58) HRH3BCHELTA4HEPHX2
Fluoride SCHEMBL9841709 0.87 HRH3 (0.57) HRH3BCHELTA4HEPHX2
Fluoride SCHEMBL9841864 0.87 HRH3 (0.57) HRH3BCHELTA4HEPHX2
Fluoride SCHEMBL9841505 0.87 HRH3 (0.57) HRH3BCHELTA4HEPHX2
Fluoride SCHEMBL9841619 0.86 APP (0.49) APPLTA4H
Fluoride SCHEMBL9841316 0.86 APP (0.49) HRH3APPLTA4H
Fluoride SCHEMBL9841293 0.85 RXRA (0.57) HRH3APPMAOB
Fluoride SCHEMBL9841601 0.85 NQO1 (0.54) GPR84APPMAOBLTA4H

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