Fluoride Ion

Fluoride Ion

SCHEMBL6364188

CCN(CC)CC.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)CC1.[F-].[H+]

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.73
▸ CHRM3 P20309 20/20 0.73

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 SCHEMBL6364191 0.98 ADRB2 (0.74) ADRB2CHRM3
SCHEMBL1256337 0.95 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL1256338 0.95 ADRB2 (0.81) ADRB2CHRM3
SCHEMBL1256339 0.95 ADRB2 (0.81) ADRB2CHRM3
Fluoride SCHEMBL6470723 0.93 ADRB2 (0.67) ADRB2CHRM3
SCHEMBL1256513 0.90 ADRB2 (0.72) ADRB2CHRM3
SCHEMBL1256510 0.90 ADRB2 (0.72) ADRB2CHRM3
SCHEMBL1256512 0.90 ADRB2 (0.72) ADRB2CHRM3
SCHEMBL1257181 0.89 ADRB2 (0.82) ADRB2CHRM3
SCHEMBL1257183 0.89 ADRB2 (0.82) ADRB2CHRM3

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
WO-2005080375-A1 CRYSTALLINE FORM OF A BIPHENYL COMPOUND THERAVANCE, INC. (US) 2005-09-01 — — WO disclosed
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