⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL326295 | 0.78 | — | — | |
| Sulfurous Acid SCHEMBL25287274 | 0.76 | — | — | |
| Sulfurous Acid SCHEMBL6926792 | 0.76 | — | — | |
| SCHEMBL28446900 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL753030 | 0.73 | — | — | |
| Water SCHEMBL4557652 | 0.73 | — | — | |
| Allylamine SCHEMBL7866713 | 0.73 | — | — | |
| Allylamine SCHEMBL11875810 | 0.73 | ALDH1A1 (0.60) | — | |
| Sulfuric Acid SCHEMBL1325415 | 0.73 | — | — | |
| Sulfurous Acid SCHEMBL6375651 | 0.73 | CA1 (0.40) | — |
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-20060147391-A1 | Composition for enhancing oral health | LG HOUSEHOLD & HEALTH CARE LTD. (KR) | 2006-07-06 | — | — | US | disclosed |
| EP-1513486-A4 | COMPOSITION FOR ENHANCING ORAL HEALTH | LG HOUSEHOLD & HEALTH CARE LTD (KR) | 2005-07-06 | — | — | EP | disclosed |
| EP-1513486-A1 | COMPOSITION FOR ENHANCING ORAL HEALTH | LG Household & Health Care Ltd. (KR) | 2005-03-16 | — | — | EP | disclosed |
| WO-2003097000-A1 | COMPOSITION FOR ENHANCING ORAL HEALTH | LG HOUSEHOLD & HEALTH CARE LTD. (KR) | 2003-11-27 | — | — | WO | disclosed |