Fluoride

Fluoride

SCHEMBL5521472

CCCCCCCCCCCCCCCCCCC(N)(C(C)N)C(O)(O)O.F.F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.40
SMPD1 P17405 4/20 0.40
SPHK1 Q9NYA1 1/20 0.38
GGPS1 O95749 5/20 0.37
CES2 O00748 1/20 0.36

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 SCHEMBL439611 0.76 FDPS (0.39) FDPSSMPD1SPHK1GGPS1
SCHEMBL21903335 0.75 SPHK1 (0.43) FDPSSMPD1SPHK1GGPS1
SCHEMBL3794088 0.73 FDPS (0.40) FDPSSMPD1SPHK1GGPS1
SCHEMBL4632058 0.73 OPRM1 (0.42) FDPSSMPD1SPHK1GGPS1
SCHEMBL11792783 0.73 OPRM1 (0.42) FDPSSMPD1SPHK1GGPS1
SCHEMBL15573847 0.73 OPRM1 (0.42) FDPSSMPD1SPHK1GGPS1
SCHEMBL8071809 0.73 OPRM1 (0.42) FDPSSMPD1SPHK1GGPS1
SCHEMBL19253997 0.73 OPRM1 (0.42) FDPSSMPD1SPHK1GGPS1
SCHEMBL5791123 0.73 OPRM1 (0.42) FDPSSMPD1SPHK1GGPS1
SCHEMBL7718828 0.73 OPRM1 (0.42) FDPSSMPD1SPHK1GGPS1

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-1868576-A2 INJECTABLE COMPOSITIONS OF NANOPARTICULATE IMMUNOSUPPRESSIVE COMPOUNDS Elan Pharma International Limited (IE) 2007-12-26 EP disclosed
WO-2006101972-A2 INJECTABLE COMPOSITIONS OF NANOPARTICULATE IMMUNOSUPPRESSIVE COMPOUNDS ELAN PHARMA INTERNATIONAL LIMITED (IE) 2006-09-28 WO disclosed