SCHEMBL8778439

SCHEMBL8778439

CCCCC[N+](C)(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.63
GGPS1 O95749 8/20 0.63
AGTR1 P30556 1/20 0.51
OPRM1 P35372 1/20 0.51
PDE3A Q14432 1/20 0.51
HTT P42858 1/20 0.48
DNM1 Q05193 5/20 0.47

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
Iodide SCHEMBL8468421 0.98 FDPS (0.61) FDPSGGPS1AGTR1OPRM1PDE3A
Hydrochloric Acid SCHEMBL8467436 0.98 FDPS (0.61) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL15452876 0.79 FDPS (0.48) FDPSGGPS1AGTR1OPRM1PDE3A
Iodide SCHEMBL7859982 0.79 FDPS (0.42) FDPSGGPS1HTTDNM1
SCHEMBL4736433 0.78 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
Phosphoric Acid SCHEMBL17529948 0.78 HTT (0.71) HTTDNM1
Phosphoric Acid SCHEMBL1462860 0.78 HTT (0.71) HTTDNM1
Didecyldimethylammonium SCHEMBL2311559 0.78 HTT (0.71) HTTDNM1
Phosphoric Acid SCHEMBL29166546 0.78 HTT (0.71) HTTDNM1
Phosphoric Acid SCHEMBL29166888 0.78 HTT (0.71) HTTDNM1

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-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP claimed
EP-0642517-A1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS, FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-03-15 EP disclosed