⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28636086 | 0.78 | — | — | |
| SCHEMBL8413641 | 0.77 | — | — | |
| SCHEMBL11838936 | 0.77 | — | — | |
| SCHEMBL22997910 | 0.72 | HSP90AA1 (0.55) | — | |
| SCHEMBL1417714 | 0.71 | — | — | |
| SCHEMBL11841058 | 0.70 | — | — | |
| SCHEMBL11471565 | 0.69 | — | — | |
| SCHEMBL30223597 | 0.69 | — | — | |
| SCHEMBL11184277 | 0.69 | — | — | |
| SCHEMBL11455498 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115216003-A | Star-shaped quaternary sulfonium antibacterial polyamino acid material and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2022-10-21 | — | — | CN | claimed |
| CN-115216003-A | Star-shaped quaternary sulfonium antibacterial polyamino acid material and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2022-10-21 | — | — | CN | disclosed |