Fluoride

Fluoride

SCHEMBL4463375

F.F.F.Fc1ccccc1SCl

nearest known ligand 0.38

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.38
ACHE P22303 1/20 0.36
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
BACE1 P56817 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
POLB P06746 1/20 0.31
NOTUM Q6P988 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1912478 0.97
SCHEMBL1970573 0.76 APOBEC3G (0.38) POLBSMN1; SMN2
SCHEMBL24220904 0.75 TAAR1 (0.33) CES2CES1BACE1TAAR1
SCHEMBL576534 0.75 APOBEC3G (0.46) HAO1ACHENFE2L2CES2CES1
SCHEMBL575956 0.75 HAO1 (0.52) HAO1ACHENFE2L2MAPK11MAPK14
SCHEMBL30963098 0.75 APOBEC3G (0.46) HAO1ACHENFE2L2CES2CES1
SCHEMBL20036773 0.72
SCHEMBL514215 0.70
Fluoride SCHEMBL943168 0.70 CES2 (0.35) ACHENFE2L2ALDH1A1ALOX15CES2
SCHEMBL11216033 0.70

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-2137144-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T Research, Inc. (US) 2009-12-30 EP disclosed
WO-2008118787-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM & T RESEARCH, INC. (US) 2008-10-02 WO disclosed