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Fluoride

Fluoride

SCHEMBL9841855

CCOc1ccc(C#Cc2ccc([S])cc2)cc1.CCOc1ccc(C#Cc2ccc([S])cc2)cc1.CCOc1ccc(C#Cc2ccc([S])cc2)cc1.CCOc1ccc(C#Cc2ccc([S])cc2)cc1.CCOc1ccc(C#Cc2ccc([S])cc2)cc1.F.F.F.F.F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.56
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ACACB O00763 16/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ LTA4H P09960 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
SCHEMBL31160399 0.87 NQO1 (0.74) NQO1TSHRTDP1ACACBLTA4H
SCHEMBL2643038 0.87 NQO1 (0.74) NQO1TSHRTDP1ALDH1A1HPGD
Fluoride SCHEMBL9842045 0.85 LTA4H (0.47) TSHRACACBALDH1A1LTA4H
Fluoride SCHEMBL9841612 0.85 ACACB (0.49) ACACBLTA4H
Fluoride SCHEMBL9842028 0.80 NR5A1 (0.54) TSHRACACBALDH1A1HPGDLTA4H
Fluoride SCHEMBL9841641 0.80 NQO1 (0.56) NQO1TSHRTDP1ACACBALDH1A1
SCHEMBL23666286 0.79 LTA4H (0.63) NQO1TSHRTDP1ACACBALDH1A1
SCHEMBL9333584 0.79 NQO1 (0.61) NQO1TSHRTDP1ACACBLTA4H
SCHEMBL4801213 0.79 NQO1 (0.61) NQO1TSHRTDP1ACACBLTA4H
SCHEMBL29868525 0.79 NQO1 (0.67) NQO1TSHRTDP1ACACBALDH1A1

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