⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1961601 | 0.92 | — | — | |
| SCHEMBL4750590 | 0.92 | — | — | |
| SCHEMBL4750588 | 0.92 | — | — | |
| SCHEMBL4750455 | 0.92 | — | — | |
| SCHEMBL4753943 | 0.92 | — | — | |
| SCHEMBL4752842 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL4752875 | 0.89 | — | — | |
| SCHEMBL4750585 | 0.89 | — | — | |
| SCHEMBL895689 | 0.84 | — | — | |
| SCHEMBL28790845 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8956595-B2 | Calcium peroxyphosphates and use thereof in dental compositions | ADA FOUNDATION (US) | 2015-02-17 | — | — | US | disclosed |
| US-20110142768-A1 | CALCIUM PEROXYPHOSPHATES AND USE THEREOF IN DENTAL COMPOSITIONS | ADA FOUNDATION (US) | 2011-06-16 | — | — | US | disclosed |
| US-7846411-B2 | Calcium peroxyphosphates and use thereof in dental compositions | ADA FOUNDATION (US) | 2010-12-07 | — | — | US | disclosed |
| WO-2006006998-A1 | CALCIUM PEROXYPHOSPHATES AND USE THEREOF IN DENTAL COMPOSITIONS | ADA FOUNDATION (US) | 2006-01-19 | — | — | WO | disclosed |
| US-20050281759-A1 | Calcium peroxyphosphates and use thereof in dental compositions | AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) | 2005-12-22 | — | — | US | disclosed |