Fluoride

Fluoride

SCHEMBL9841445

CCCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCCCC1CCC(C(=O)Oc2ccc([S])c(F)c2)CC1.CCCCC1CCC(C(=O)Oc2ccc([S])c(F)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
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.39
CA2 P00918 1/20 0.38
TP53 P04637 4/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 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

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 SCHEMBL9841381 0.96 HTT (0.40) MAPTGAAATMCA2TP53
Fluoride SCHEMBL9841547 0.96 HTT (0.40) MAPTGAAATMCA2TP53
Fluoride SCHEMBL9841286 0.93 ATM (0.40) MAPTGAAATMCA2POLB
SCHEMBL7507918 0.88 MAPT (0.43) MAPTGAAATMCA2TP53
SCHEMBL20152452 0.88 MAPT (0.43) MAPTGAAATMCA2TP53
SCHEMBL8455047 0.88 MAPT (0.43) MAPTGAAATMCA2TP53
Fluoride SCHEMBL9841305 0.88 KMT2A (0.41) MAPTGAAATMCA2POLB
Fluoride SCHEMBL9841262 0.86 GAA (0.40) MAPTGAAATMCA2TP53
Fluoride SCHEMBL9841742 0.86 KMT2A (0.46) MAPTGAAATMPOLBKMT2A
SCHEMBL7508867 0.85 TDP1 (0.42) MAPTGAAATMCA2KMT2A

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