SCHEMBL4725467

SCHEMBL4725467

O=P(O)(O)CC(O)(c1cccnc1)P(=O)(O)O.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.51
BTN3A1 O00481 1/20 0.51
PDE3A Q14432 1/20 0.51
KCNA5 P22460 2/20 0.45
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A5 P20815 1/20 0.39

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
SCHEMBL15533205 0.98 FDPS (0.53) FDPSBTN3A1PDE3AKCNA5CYP19A1
SCHEMBL9219072 0.81 FDPS (0.47) FDPSBTN3A1PDE3AKCNA5CYP19A1
L-Arabinose SCHEMBL20817160 0.81 FDPS (0.39) FDPSBTN3A1PDE3AKCNA5CYP19A1
SCHEMBL5897152 0.80 PTPN1 (0.50) FDPSBTN3A1PDE3ACYP2C9CYP2C19
SCHEMBL13746036 0.79 FDPS (0.53) FDPSBTN3A1PDE3AKCNA5CYP19A1
SCHEMBL8389732 0.79 FDPS (0.46) FDPSBTN3A1PDE3AKCNA5CYP19A1
SCHEMBL9602511 0.75 FDPS (0.44) FDPSBTN3A1PDE3AKCNA5CYP19A1
SCHEMBL4961800 0.75 FDPS (0.51) FDPSBTN3A1PDE3AKCNA5CYP19A1
SCHEMBL7763663 0.75 KCNA5 (0.51) FDPSBTN3A1PDE3AKCNA5CYP19A1
SCHEMBL9850885 0.74 LMNA (0.51) FDPSBTN3A1PDE3ACYP19A1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008020305-A2 SOLID DOSAGE FORMS OF BISPHOSPHONIC ACIDS AUROBINDO PHARMA LIMITED (IN) 2008-02-21 WO disclosed
EP-1476451-A1 USE OF CERTAIN DILUENTS FOR MAKING BISPHOSPHONIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-11-17 EP disclosed
WO-2003097655-A1 USE OF CERTAIN DILUENTS FOR MAKING BISPHOSPHONIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-11-27 WO disclosed
WO-1993013801-A1 TREATMENT FOR ATHEROSCLEROSIS THE PROCTER & GAMBLE COMPANY (US) 1993-07-22 WO disclosed