Fluoride

Fluoride

SCHEMBL9841923

CCCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCCCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.F.F.F.F.F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
RARB P10826 7/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 8/20 0.46
THRA P10827 7/20 0.46
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MTOR P42345 1/20 0.44
FAAH O00519 1/20 0.43
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43

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 SCHEMBL9841899 1.00 PRSS1 (0.48) PRSS1ACRRARBMAPTSMN1; SMN2
Fluoride SCHEMBL9841904 1.00 PRSS1 (0.48) PRSS1ACRRARBMAPTSMN1; SMN2
Fluoride SCHEMBL9841540 0.99 MAPT (0.47) PRSS1ACRRARBMAPTSMN1; SMN2
Fluoride SCHEMBL9841672 0.95 MAPT (0.43) PRSS1ACRRARBMAPTSMN1; SMN2
Fluoride SCHEMBL9841586 0.90 MAPT (0.45) PRSS1ACRMAPTSMN1; SMN2THRB
SCHEMBL9641055 0.87 PRSS1 (0.59) PRSS1ACRRARBMAPTSMN1; SMN2
Fluoride SCHEMBL9841811 0.86 RXRA (0.41) PRSS1MAPTMEN1KMT2AALDH1A1
Fluoride SCHEMBL9841390 0.86 THRB (0.47) PRSS1ACRRARBMAPTSMN1; SMN2
Fluoride SCHEMBL9841689 0.86 THRB (0.47) PRSS1ACRRARBMAPTSMN1; SMN2
Fluoride SCHEMBL9841183 0.86 THRB (0.47) PRSS1ACRRARBMAPTSMN1; 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 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