⚠ 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL28468923 | 0.94 | — | — | |
| SCHEMBL28848643 | 0.94 | — | — | |
| SCHEMBL28848524 | 0.94 | — | — | |
| SCHEMBL29837486 | 0.94 | — | — | |
| Potassium Ion SCHEMBL27995765 | 0.94 | CA4 (0.33) | — | |
| Lithium Ion SCHEMBL28848542 | 0.94 | — | — | |
| SCHEMBL28848536 | 0.94 | — | — | |
| SCHEMBL16223254 | 0.75 | — | — | |
| SCHEMBL29837447 | 0.65 | — | — | |
| Bicarbonate SCHEMBL618447 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124821-A | Polyester composition for high-strength transparent PET (polyethylene terephthalate) bottle | 安徽模岩材料科技有限公司 | 2022-09-30 | — | — | CN | disclosed |