SCHEMBL14199565

SCHEMBL14199565

CCCCOc1cccc(-c2ccc[n+](CC(P(C)(=O)O)P(=O)(O)O)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 17/20 0.83
▸ FDPS P14324 2/20 0.59
▸ NR1H4 Q96RI1 1/20 0.41
▸ DHODH Q02127 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
SCHEMBL14199589 0.95 GGPS1 (0.74) GGPS1FDPS
SCHEMBL12257805 0.95 GGPS1 (0.88) GGPS1FDPSNR1H4DHODH
SCHEMBL14199576 0.90 GGPS1 (0.68) GGPS1FDPS
SCHEMBL14199566 0.90 GGPS1 (0.68) GGPS1FDPS
SCHEMBL12060544 0.89 GGPS1 (0.79) GGPS1FDPS
SCHEMBL14199567 0.86 GGPS1 (0.61) GGPS1FDPS
SCHEMBL12060536 0.85 GGPS1 (0.72) GGPS1FDPS
SCHEMBL12060535 0.85 GGPS1 (0.72) GGPS1FDPS
SCHEMBL12436806 0.80 GGPS1 (0.65) GGPS1FDPS
SCHEMBL14199553 0.78 GGPS1 (0.75) 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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