⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL3354667 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL3339625 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL29007217 | 0.94 | — | — | |
| Phosphonic Acid SCHEMBL458503 | 0.93 | — | — | |
| Phosphonic Acid SCHEMBL29666079 | 0.93 | — | — | |
| Phosphonic Acid SCHEMBL3694758 | 0.93 | — | — | |
| Phosphonic Acid SCHEMBL27583577 | 0.93 | — | — | |
| Phosphonic Acid SCHEMBL4074 | 0.93 | — | — | |
| Phosphonic Acid SCHEMBL3226571 | 0.93 | — | — | |
| Phosphonic Acid SCHEMBL15572517 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7687482-B2 | Bisphosphonate compounds and methods | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2010-03-30 | — | — | US | disclosed |
| EP-2001486-A2 | BISPHOSPHONATE COMPOUNDS AND METHODS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2008-12-17 | — | — | EP | disclosed |
| US-20070275931-A1 | BISPHOSPHONATE COMPOUNDS AND METHODS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2007-11-29 | — | — | US | disclosed |
| WO-2007109585-A2 | BISPHOSPHONATE COMPOUNDS AND METHODS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2007-09-27 | — | — | WO | disclosed |