Fluoride

Fluoride

SCHEMBL9841283

CCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.CCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.CCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.CCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.CCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.F.F.F.F.F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.40
ATM Q13315 1/20 0.40
CA2 P00918 1/20 0.39
ELANE P08246 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 2/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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 SCHEMBL9841928 0.91 HPGD (0.41) HPGDKMT2AHTTSMN1; SMN2TDP1
Fluoride SCHEMBL9841262 0.89 GAA (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
Fluoride SCHEMBL9841961 0.87 HTT (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
Fluoride SCHEMBL9841320 0.87 HTT (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
Fluoride SCHEMBL9841305 0.86 KMT2A (0.41) HPGDKMT2AHTTSMN1; SMN2TDP1
Fluoride SCHEMBL9841337 0.85 KMT2A (0.51) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11129453 0.83 HPGD (0.44) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11129450 0.83 HPGD (0.44) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL12154243 0.82 L3MBTL1 (0.59) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL20045170 0.82 KMT2A (0.61) HPGDKMT2AHTTSMN1; SMN2TDP1

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