SCHEMBL12048161

SCHEMBL12048161

CP(=O)(O)C(O)(C[n+]1cccc(-c2ccc(C(F)(F)F)cc2)c1)P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 4/20 0.59
▸ PTPN5 P54829 11/20 0.40
▸ FDPS P14324 1/20 0.39
▸ KIF11 P52732 3/20 0.36

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
SCHEMBL12060360 0.93 GGPS1 (0.64) GGPS1PTPN5FDPSKIF11
SCHEMBL12048188 0.88 GGPS1 (0.62) GGPS1PTPN5FDPS
SCHEMBL12048146 0.87 GGPS1 (0.76) GGPS1PTPN5FDPS
SCHEMBL14199552 0.86 GGPS1 (0.63) GGPS1PTPN5FDPS
SCHEMBL12048199 0.86 GGPS1 (0.49) GGPS1PTPN5FDPS
SCHEMBL12048208 0.83 GGPS1 (0.59) GGPS1FDPS
SCHEMBL12048205 0.83 GGPS1 (0.59) GGPS1FDPS
SCHEMBL12048151 0.83 GGPS1 (0.78) GGPS1PTPN5FDPS
SCHEMBL12048203 0.81 FDPS (0.40) GGPS1FDPS
SCHEMBL12048173 0.81 GGPS1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071573-B2 Bisphosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS (US) 2011-12-06 — — US disclosed
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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