Fluoride

Fluoride

SCHEMBL9841540

CCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.F.F.F.F.F

nearest known ligand 0.47

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
THRB P10828 6/20 0.46
RARB P10826 8/20 0.46
THRA P10827 5/20 0.44
RARA P10276 2/20 0.43
KMT2A Q03164 2/20 0.43
RARG P13631 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MTOR P42345 1/20 0.42

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 SCHEMBL9841904 0.99 PRSS1 (0.48) MAPTSMN1; SMN2PRSS1ACRTHRB
Fluoride SCHEMBL9841899 0.99 PRSS1 (0.48) MAPTSMN1; SMN2PRSS1ACRTHRB
Fluoride SCHEMBL9841923 0.99 PRSS1 (0.48) MAPTSMN1; SMN2PRSS1ACRTHRB
Fluoride SCHEMBL9841672 0.96 MAPT (0.43) MAPTSMN1; SMN2PRSS1ACRTHRB
Fluoride SCHEMBL9841586 0.91 MAPT (0.45) MAPTSMN1; SMN2PRSS1ACRTHRB
Fluoride SCHEMBL9841811 0.87 RXRA (0.41) MAPTPRSS1KMT2AMEN1ALDH1A1
Fluoride SCHEMBL9841273 0.86 MAPT (0.57) MAPTSMN1; SMN2PRSS1ACRKMT2A
Fluoride SCHEMBL9841384 0.86 MAPT (0.47) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL15693581 0.85 MAPT (0.49) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9641055 0.85 PRSS1 (0.59) MAPTSMN1; SMN2PRSS1ACRTHRB

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