SCHEMBL12048192

SCHEMBL12048192

Cc1cc(C)c[n+](CC(O)(P(C)(=O)O)P(=O)(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 16/20 0.40
▸ GGPS1 O95749 3/20 0.38
▸ PGK1 P00558 1/20 0.34
▸ PGK2 P07205 1/20 0.34

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
SCHEMBL12060367 0.91 FDPS (0.46) FDPSGGPS1PGK1PGK2
SCHEMBL11952615 0.81 GGPS1 (0.52) FDPSGGPS1
SCHEMBL12048194 0.76 GGPS1 (0.44) FDPSGGPS1
SCHEMBL12048156 0.74 GGPS1 (0.47) FDPSGGPS1
SCHEMBL12048150 0.72 GGPS1 (0.46) FDPSGGPS1
SCHEMBL12048206 0.72 GGPS1 (0.52) FDPSGGPS1
SCHEMBL12060351 0.72 GGPS1 (0.56) FDPSGGPS1
SCHEMBL12048259 0.72 GGPS1 (0.52) FDPSGGPS1
SCHEMBL12048195 0.71 GGPS1 (0.51) FDPSGGPS1
SCHEMBL12048186 0.71 GGPS1 (0.51) FDPSGGPS1

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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