⚠ 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 SCHEMBL10427079 | 1.00 | ALDH1A1 (0.41) | — | |
| Fluoride SCHEMBL6762571 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL120802 | 0.97 | — | — | |
| Bromide SCHEMBL29138753 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6387923 | 0.94 | ALDH1A1 (0.41) | — | |
| Alcohol SCHEMBL5181934 | 0.88 | ALDH1A1 (0.37) | — | |
| SCHEMBL364981 | 0.87 | — | — | |
| Fluoride SCHEMBL5041049 | 0.86 | ALDH1A1 (0.35) | — | |
| Bromide SCHEMBL15392853 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL447725 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116600770-A | Oral care compositions with amine fluoride | 高露洁-棕榄公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-116568261-A | Oral care compositions with amine fluoride | 高露洁-棕榄公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-116546956-A | Oral care compositions with amine fluoride | 高露洁-棕榄公司 | 2023-08-04 | — | — | CN | disclosed |