SCHEMBL14199569

SCHEMBL14199569

CCCCc1ccc[n+](CC(P(C)(=O)O)P(=O)(O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 16/20 0.74
▸ FDPS P14324 4/20 0.52
▸ ENPP2 Q13822 1/20 0.38

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
SCHEMBL14199568 0.96 GGPS1 (0.80) GGPS1FDPSENPP2
SCHEMBL14199586 0.96 GGPS1 (0.80) GGPS1FDPSENPP2
SCHEMBL12060626 0.95 GGPS1 (0.77) GGPS1FDPSENPP2
SCHEMBL12060539 0.90 GGPS1 (0.86) GGPS1FDPSENPP2
SCHEMBL12060529 0.90 GGPS1 (0.86) GGPS1FDPSENPP2
SCHEMBL12257807 0.90 GGPS1 (0.86) GGPS1FDPSENPP2
SCHEMBL12257842 0.88 GGPS1 (0.57) GGPS1FDPS
SCHEMBL12257802 0.86 GGPS1 (0.69) GGPS1FDPS
SCHEMBL14199580 0.86 GGPS1 (0.56) GGPS1FDPS
SCHEMBL14199572 0.83 GGPS1 (0.53) GGPS1FDPS

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
US-7358361-B2 Biophosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-15 — — US disclosed
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