Fluoride

Fluoride

SCHEMBL9841286

CCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.F.F.F.F.F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.35
CYP2C9 P11712 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAP2K1 Q02750 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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 SCHEMBL9841445 0.93 MAPT (0.40) ATMKMT2AHTTCA2SMN1; SMN2
Fluoride SCHEMBL9841381 0.91 HTT (0.40) ATMKMT2AHTTCA2SMN1; SMN2
Fluoride SCHEMBL9841547 0.91 HTT (0.40) ATMKMT2AHTTCA2SMN1; SMN2
Fluoride SCHEMBL9841305 0.90 KMT2A (0.41) ATMKMT2AHTTCA2SMN1; SMN2
SCHEMBL14525816 0.86 ATM (0.42) ATMKMT2AHTTCA2SMN1; SMN2
Fluoride SCHEMBL9841928 0.86 HPGD (0.41) ATMKMT2AHTTCA2SMN1; SMN2
SCHEMBL16596658 0.85 ATM (0.41) ATMKMT2AHTTCA2SMN1; SMN2
Fluoride SCHEMBL9841960 0.85 KMT2A (0.49) ATMKMT2AHTTCA2SMN1; SMN2
SCHEMBL8377989 0.84 CHRNA3 (0.45) ATMKMT2AHTTCA2SMN1; SMN2
SCHEMBL8377991 0.84 CHRNA3 (0.45) ATMKMT2AHTTCA2SMN1; SMN2

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