⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29227067 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL2022375 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL27988727 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL31556185 | 0.88 | — | — | |
| Zinc Ion SCHEMBL8400553 | 0.88 | LMNA (0.33) | — | |
| Water SCHEMBL5327631 | 0.88 | — | — | |
| Zinc Ion SCHEMBL8426952 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL3340961 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL2696511 | 0.82 | — | — | |
| Zinc Ion SCHEMBL29290248 | 0.82 | LMNA (0.30) | — |
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-113403683-A | Zinc borate crystal ammonified by fluoride, its preparing process and application | 南开大学 | 2021-09-17 | — | — | CN | claimed |
| CN-113403683-A | Zinc borate crystal ammonified by fluoride, its preparing process and application | 南开大学 | 2021-09-17 | — | — | CN | disclosed |
| CN-113403683-A | Zinc borate crystal ammonified by fluoride, its preparing process and application | 南开大学 | 2021-09-17 | — | — | CN | disclosed |