⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL528387 | 0.78 | — | — | |
| SCHEMBL143378 | 0.71 | — | — | |
| Bromide SCHEMBL3425279 | 0.67 | — | — | |
| Water SCHEMBL28558122 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1250880 | 0.67 | — | — | |
| SCHEMBL9751011 | 0.65 | — | — | |
| SCHEMBL362926 | 0.64 | — | — | |
| SCHEMBL5036885 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL9387 | 0.64 | — | — | |
| SCHEMBL54903 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0294391-A4 | PROCESS AND COMPOSITION FOR ORAL HYGIENE | — | 1991-10-16 | — | — | EP | disclosed |
| EP-0294391-A1 | PROCESS AND COMPOSITION FOR ORAL HYGIENE. | MICHAELS E B RES ASS INC (US) | 1988-12-14 | — | — | EP | disclosed |
| WO-1987004922-A1 | PROCESS AND COMPOSITION FOR ORAL HYGIENE | E.B. MICHAELS RESEARCH ASSOCIATES, INC. (US) | 1987-08-27 | — | — | WO | disclosed |