Fluoride

Fluoride

SCHEMBL9841774

CCC1CC=C(c2ccc([S])cc2)CC1.CCC1CC=C(c2ccc([S])cc2)CC1.CCC1CC=C(c2ccc([S])cc2)CC1.CCC1CC=C(c2ccc([S])cc2)CC1.CCC1CC=C(c2ccc([S])cc2)CC1.F.F.F.F.F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
BACE1 P56817 1/20 0.41

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
SCHEMBL11199009 0.89 ESR2 (0.58) ESR2BACE1
SCHEMBL11193766 0.88 ESR2 (0.56) ESR2BACE1
Fluoride SCHEMBL9841884 0.87 ESR2 (0.46) ESR2BACE1
Fluoride SCHEMBL9841667 0.84 ESR2 (0.44) ESR2BACE1
Fluoride SCHEMBL9841246 0.83 ESR2 (0.37) ESR2BACE1
Fluoride SCHEMBL9841328 0.83 ESR2 (0.43) ESR2BACE1
SCHEMBL10928954 0.83 ESR2 (0.51) ESR2BACE1
Fluoride SCHEMBL9841804 0.82 ESR2 (0.42) ESR2BACE1
Fluoride SCHEMBL9841777 0.82 ESR2 (0.42) ESR2BACE1
Fluoride SCHEMBL9841522 0.82 ESR2 (0.42) ESR2BACE1

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