⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15071 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL8366319 | 0.94 | — | — | |
| Methylamine SCHEMBL3405726 | 0.94 | TDP1 (0.45) | — | |
| SCHEMBL5821487 | 0.94 | — | — | |
| SCHEMBL30193267 | 0.94 | — | — | |
| SCHEMBL28185928 | 0.89 | TDP1 (0.63) | — | |
| Alcohol SCHEMBL28153355 | 0.87 | TDP1 (0.39) | — | |
| Methacrylic Acid SCHEMBL7264581 | 0.85 | TDP1 (0.50) | — | |
| Acrylamide SCHEMBL2433701 | 0.85 | TSHR (0.52) | — | |
| Acrylic Acid SCHEMBL529038 | 0.83 | LMNA (0.46) | — |
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-110343352-B | Double-crosslinking hydrogel based on calcium peroxide/polymer oxygen-generating particles and preparation method thereof | 天津大学 | 2022-12-09 | — | — | CN | disclosed |