Fluoride

Fluoride

SCHEMBL9841928

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
ATM Q13315 1/20 0.40
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 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
CA2 P00918 1/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35

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 SCHEMBL9841262 0.93 GAA (0.40) HPGDATMKMT2AHTTSMN1; SMN2
Fluoride SCHEMBL9841283 0.91 HPGD (0.43) HPGDATMKMT2AHTTSMN1; SMN2
Fluoride SCHEMBL9841961 0.91 HTT (0.40) HPGDATMKMT2AHTTSMN1; SMN2
Fluoride SCHEMBL9841320 0.91 HTT (0.40) HPGDATMKMT2AHTTSMN1; SMN2
Fluoride SCHEMBL9841286 0.86 ATM (0.40) ATMKMT2AHTTSMN1; SMN2TDP1
Fluoride SCHEMBL9841960 0.85 KMT2A (0.49) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL8377991 0.82 CHRNA3 (0.45) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL8377989 0.82 CHRNA3 (0.45) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL13135346 0.82 HTT (0.58) HPGDATMKMT2AHTTSMN1; SMN2
Fluoride SCHEMBL9841310 0.81 HTT (0.45) HPGDATMKMT2AHTTSMN1; 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