⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24492 | 0.95 | — | — | |
| SCHEMBL28863312 | 0.91 | — | — | |
| Iodide SCHEMBL11057438 | 0.91 | — | — | |
| Bromide SCHEMBL11615895 | 0.91 | — | — | |
| Water SCHEMBL3183387 | 0.91 | — | — | |
| SCHEMBL8770631 | 0.78 | — | — | |
| SCHEMBL27476850 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28538374 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL21802598 | 0.76 | — | — | |
| Cyanamide SCHEMBL1057400 | 0.75 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112618728-B | Dual-response prodrug containing polysialic acid group, synthetic method thereof and application thereof in pharmaceutical preparation | 绍兴文理学院 | 2022-07-29 | — | — | CN | claimed |
| CN-112618728-A | Dual-response prodrug containing polysialic acid group, synthetic method thereof and application thereof in pharmaceutical preparation | 绍兴文理学院 | 2021-04-09 | — | — | CN | claimed |
| CN-112618728-B | Dual-response prodrug containing polysialic acid group, synthetic method thereof and application thereof in pharmaceutical preparation | 绍兴文理学院 | 2022-07-29 | — | — | CN | disclosed |
| CN-112618728-A | Dual-response prodrug containing polysialic acid group, synthetic method thereof and application thereof in pharmaceutical preparation | 绍兴文理学院 | 2021-04-09 | — | — | CN | disclosed |