⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL29860 | 0.82 | — | — | |
| Fluoride SCHEMBL5133935 | 0.82 | — | — | |
| SCHEMBL11322872 | 0.82 | — | — | |
| Fluoride SCHEMBL11644367 | 0.82 | — | — | |
| Fluoride SCHEMBL2185288 | 0.82 | — | — | |
| Fluoride SCHEMBL7569414 | 0.82 | — | — | |
| Fluoride SCHEMBL11879207 | 0.82 | — | — | |
| Fluoride SCHEMBL108669 | 0.82 | — | — | |
| Fluoride SCHEMBL4243143 | 0.82 | — | — | |
| Fluoride SCHEMBL28057990 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2566367-A1 | TOOTHBRUSH | The Gillette Company (US) | 2013-03-13 | — | — | EP | disclosed |
| US-8129444-B2 | Self-adhesive dental materials | 3M ESPE AG (DE) | 2012-03-06 | — | — | US | disclosed |
| WO-2011140346-A1 | TOOTHBRUSH | THE GILLETTE COMPANY (US) | 2011-11-10 | — | — | WO | disclosed |
| US-20060004122-A1 | Self-adhesive dental materials | 3M ESPE AG (DE) | 2006-01-05 | — | — | US | disclosed |
| US-20040110864-A1 | Self-adhesive dental materials | 3M ESPE AG (DE) | 2004-06-10 | — | — | US | disclosed |