Fluoride

Fluoride

SCHEMBL5604279

CCc1cccc(NCc2ccccc2)c1CC.F.[B+3].[F-].[F-].[F-]

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
HDAC8 Q9BY41 1/20 0.45
GRM2 Q14416 1/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 1/20 0.38
PLK1 P53350 1/20 0.38
CLCN2 P51788 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 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 SCHEMBL28344212 0.97 HSD17B10 (0.51) HSD17B10HDAC8GRM2HPGDKDM4E
Fluoride SCHEMBL8673411 0.95 HSD17B10 (0.50) HSD17B10HDAC8GRM2HPGDKDM4E
SCHEMBL893345 0.81 HSD17B10 (0.60) HSD17B10HDAC8GRM2HPGDKDM4E
Bromide SCHEMBL11785370 0.79 GRM2 (0.54) HDAC8GRM2KDM4EABCB1ABCG2
SCHEMBL28226301 0.79 ADRA2C (0.51) HSD17B10HDAC8GRM2HPGDKDM4E
SCHEMBL12074306 0.78 HSD17B10 (0.47) HSD17B10HDAC8GRM2HPGDKDM4E
SCHEMBL10540382 0.76 KCNH2 (0.43) GAAALDH1A1CLCN2POLBCYP1A2
SCHEMBL19495506 0.76 HSD17B10 (0.53) HSD17B10HDAC8GRM2HPGDKDM4E
SCHEMBL11105902 0.73 DHFR (0.40) GAAALDH1A1CLCN2L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL10589417 0.72 POLB (0.50) HDAC8HPGDKDM4EALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799760-A1 HIGH SOLIDS PRIMER COMPOSITIONS BASED ON A CYCLOALIPHATIC EPOXY RESIN AND AN ALKOXY- SILANE AND / OR ALKOXY-SILICATE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-06-27 EP disclosed
WO-2006042299-A1 HIGH SOLIDS PRIMER COMPOSITIONS BASED ON A CYCLOALIPHATIC EPOXY RESIN AND AN ALKOXY- SILANE AND / OR ALKOXY-SILICATE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-04-20 WO disclosed