SCHEMBL3979481

SCHEMBL3979481

Cc1nc(C)c2c(ncn2CC(P(=O)(O)O)P(=O)(O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.49
GGPS1 O95749 3/20 0.49
P2RY1 P47900 2/20 0.34
CYP3A4 P08684 1/20 0.30

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
SCHEMBL3980736 0.78 FDPS (0.54) FDPSGGPS1P2RY1CYP3A4
SCHEMBL3984337 0.75 FDPS (0.51) FDPSGGPS1P2RY1
SCHEMBL3986005 0.74 FDPS (0.51) FDPSGGPS1P2RY1CYP3A4
SCHEMBL3977299 0.70 FDPS (0.63) FDPSGGPS1P2RY1CYP3A4
SCHEMBL4262821 0.66 FDPS (0.62) FDPSGGPS1CYP3A4
SCHEMBL8991809 0.65 FDPS (0.50) FDPSGGPS1
SCHEMBL20385726 0.62 FDPS (1.00) FDPSGGPS1CYP3A4
SCHEMBL3982080 0.61 FDPS (0.69) FDPSGGPS1P2RY1
SCHEMBL3981356 0.61 P2RY1 (0.36) FDPSGGPS1P2RY1CYP3A4
SCHEMBL3976006 0.60 FDPS (1.00) FDPSGGPS1P2RY1CYP3A4

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
WO-2009056952-A1 GEMINAL BISPHOSPHONATES, THEIR PREPARATION AND THEIR USE IN THE FIELD OF ONCOLOGY TETRAPHARM S.R.L. (IT) 2009-05-07 WO claimed
WO-2009056952-A1 GEMINAL BISPHOSPHONATES, THEIR PREPARATION AND THEIR USE IN THE FIELD OF ONCOLOGY TETRAPHARM S.R.L. (IT) 2009-05-07 WO disclosed