⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2375995 | 0.97 | — | — | |
| SCHEMBL4907274 | 0.82 | — | — | |
| SCHEMBL78756 | 0.78 | ALDH1A1 (0.39) | — | |
| Acetic Acid SCHEMBL29074702 | 0.77 | FFAR3 (0.39) | — | |
| SCHEMBL3111660 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL2410036 | 0.73 | ALDH1A1 (0.35) | — | |
| Acetic Acid SCHEMBL30741418 | 0.73 | CA1 (0.45) | — | |
| Bicarbonate SCHEMBL7771639 | 0.72 | ALDH1A1 (0.47) | — | |
| Bicarbonate SCHEMBL7103822 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL25442 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115373-B1 | ORAL COMPOSITION WITH AN IMPROVED TEETH WHITENING EFFECT | UNILEVER NV (NL) | 2004-12-22 | — | — | EP | claimed |
| EP-1115373-A1 | ORAL COMPOSITION WITH AN IMPROVED TEETH WHITENING EFFECT | UNILEVER N.V. (NL) | 2001-07-18 | — | — | EP | claimed |
| WO-2000018366-A1 | ORAL COMPOSITION WITH AN IMPROVED TEETH WHITENING EFFECT | UNILEVER N.V. (NL) | 2000-04-06 | — | — | WO | claimed |
| EP-1115373-A1 | ORAL COMPOSITION WITH AN IMPROVED TEETH WHITENING EFFECT | UNILEVER N.V. (NL) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018366-A1 | ORAL COMPOSITION WITH AN IMPROVED TEETH WHITENING EFFECT | UNILEVER N.V. (NL) | 2000-04-06 | — | — | WO | disclosed |
| US-4774354-A | REDUCING AGENTS, ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS | UTAH STATE UNIVERSITY FOUNDATION (US) | 1988-09-27 | — | — | US | disclosed |
| US-4658051-A | REDUCING AGENTS | UTAH STATE UNIVERSITY FOUNDATION (US) | 1987-04-14 | — | — | US | disclosed |