SCHEMBL12048194

SCHEMBL12048194

Cc1cc[n+](CC(O)(P(C)(=O)O)P(=O)(O)O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.44
▸ FDPS P14324 14/20 0.40
▸ CHRNA7 P36544 4/20 0.36
▸ CHRNA10 Q9GZZ6 4/20 0.36
▸ CHRNA9 Q9UGM1 4/20 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
SCHEMBL12060370 0.92 GGPS1 (0.47) GGPS1FDPSCHRNA7CHRNA10CHRNA9
SCHEMBL11952615 0.81 GGPS1 (0.52) GGPS1FDPS
SCHEMBL12048152 0.79 GGPS1 (0.48) GGPS1FDPS
SCHEMBL12048259 0.78 GGPS1 (0.52) GGPS1FDPS
SCHEMBL12048207 0.77 GGPS1 (0.51) GGPS1FDPS
SCHEMBL12048186 0.77 GGPS1 (0.51) GGPS1FDPS
SCHEMBL12048200 0.77 GGPS1 (0.51) GGPS1FDPS
SCHEMBL12048195 0.77 GGPS1 (0.51) GGPS1FDPS
SCHEMBL12048192 0.76 FDPS (0.40) GGPS1FDPS
SCHEMBL12048182 0.76 FDPS (0.42) 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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