⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3441122 | 0.77 | — | — | |
| SCHEMBL6631932 | 0.75 | — | — | |
| SCHEMBL5730796 | 0.75 | — | — | |
| SCHEMBL14738075 | 0.73 | — | — | |
| SCHEMBL216824 | 0.73 | — | — | |
| SCHEMBL2277808 | 0.73 | — | — | |
| SCHEMBL3812922 | 0.73 | — | — | |
| SCHEMBL11504121 | 0.71 | — | — | |
| Methane SCHEMBL28280470 | 0.71 | — | — | |
| SCHEMBL1618313 | 0.68 | ALDH1A1 (1.00) | — |
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-117637186-A | Method for screening and preparing active molecule group in tripterygium plants and application thereof | 重庆市中药研究院 | 2024-03-01 | — | — | CN | disclosed |
| CN-117338831-A | Low-toxicity tripterygium wilfordii extract and preparation method and application thereof | 重庆市中药研究院 | 2024-01-05 | — | — | CN | disclosed |