Fluoride

Fluoride

SCHEMBL9841262

CCCCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.CCCCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.CCCCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.CCCCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.CCCCC1CCC(C(=O)Oc2ccc([S])c(Cl)c2)CC1.F.F.F.F.F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 5/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 1/20 0.37
CA2 P00918 1/20 0.36
TP53 P04637 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 SCHEMBL9841320 0.96 HTT (0.40) GAAMAPTHPGDATMKMT2A
Fluoride SCHEMBL9841961 0.96 HTT (0.40) GAAMAPTHPGDATMKMT2A
Fluoride SCHEMBL9841928 0.93 HPGD (0.41) MAPTHPGDATMKMT2APOLB
Fluoride SCHEMBL9841283 0.89 HPGD (0.43) MAPTHPGDATMKMT2APOLB
Fluoride SCHEMBL9841445 0.86 MAPT (0.40) GAAMAPTHPGDATMKMT2A
Fluoride SCHEMBL9841742 0.86 KMT2A (0.46) GAAMAPTHPGDATMKMT2A
Fluoride SCHEMBL9841602 0.82 KMT2A (0.43) GAAMAPTHPGDATMKMT2A
Fluoride SCHEMBL9841547 0.82 HTT (0.40) GAAMAPTATMKMT2APOLB
Fluoride SCHEMBL9841381 0.82 HTT (0.40) GAAMAPTATMKMT2APOLB
SCHEMBL9841263 0.82 GAA (0.39) GAAMAPTHPGDATMKMT2A

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