Fluoride

Fluoride

SCHEMBL9841337

CCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.CCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.CCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.CCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.CCC1CCC(C(=O)Oc2ccc([S])cc2)CC1.F.F.F.F.F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
F2 P00734 1/20 0.47
ELANE P08246 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
CA2 P00918 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 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 SCHEMBL9841650 0.96 KMT2A (0.47) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL20045170 0.91 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL12154218 0.91 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1F2
Fluoride SCHEMBL9841960 0.89 KMT2A (0.49) KMT2AHTTSMN1; SMN2TDP1F2
Fluoride SCHEMBL9841742 0.86 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1F2
Fluoride SCHEMBL9841310 0.85 HTT (0.45) KMT2AHTTSMN1; SMN2TDP1F2
Fluoride SCHEMBL9841519 0.85 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1F2
Fluoride SCHEMBL9841283 0.85 HPGD (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL12154243 0.85 L3MBTL1 (0.59) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL12154151 0.85 HTT (0.54) 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