SCHEMBL12048203

SCHEMBL12048203

CP(=O)(O)C(O)(C[n+]1ccc(C(F)(F)F)cc1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 9/20 0.40
▸ GGPS1 O95749 2/20 0.38
▸ ACP3 P15309 2/20 0.36
▸ PGK1 P00558 2/20 0.34
▸ PGK2 P07205 2/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ LSS P48449 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL12060615 0.91 FDPS (0.47) FDPSGGPS1ACP3PGK1PGK2
SCHEMBL12048199 0.83 GGPS1 (0.49) FDPSGGPS1ACP3PGK1PGK2
SCHEMBL12048161 0.81 GGPS1 (0.59) FDPSGGPS1
SCHEMBL12048193 0.79 FDPS (0.46) FDPSGGPS1
SCHEMBL12048185 0.79 GGPS1 (0.57) FDPSGGPS1PTPN1
SCHEMBL12048176 0.79 CHKA (0.41) FDPSGGPS1
SCHEMBL12048182 0.79 FDPS (0.42) FDPSGGPS1ACP3CA1
SCHEMBL12048156 0.77 GGPS1 (0.47) FDPSGGPS1
SCHEMBL12048155 0.77 FDPS (0.49) FDPSGGPS1
SCHEMBL12048194 0.76 GGPS1 (0.44) 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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