Fluoride

Fluoride

SCHEMBL9841519

CCCCCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.CCCCCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.CCCCCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.CCCCCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.CCCCCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.F.F.F.F.F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.43
F2 P00734 1/20 0.43
MEN1 O00255 1/20 0.42
ELANE P08246 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL9841177 0.99 HTT (0.44) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841714 0.99 HTT (0.44) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841735 0.99 HTT (0.44) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841424 0.96 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841742 0.96 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841999 0.95 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841210 0.95 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841805 0.95 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841602 0.93 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1PKM
Fluoride SCHEMBL9841960 0.91 KMT2A (0.49) KMT2AHTTSMN1; SMN2TDP1F2

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