⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL224974 | 0.90 | — | — | |
| SCHEMBL4339250 | 0.87 | — | — | |
| SCHEMBL2941165 | 0.87 | — | — | |
| SCHEMBL2944079 | 0.87 | — | — | |
| SCHEMBL1823886 | 0.87 | — | — | |
| SCHEMBL9228730 | 0.84 | — | — | |
| SCHEMBL10416753 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL9222863 | 0.84 | — | — | |
| Urea SCHEMBL5273287 | 0.82 | SLC1A3 (0.37) | — | |
| Urea SCHEMBL5907037 | 0.78 | SLC1A3 (0.34) | — |
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-114634509-B | Full continuous flow preparation method of (-) -tetrahydroberberine | 复旦大学 | 2024-07-02 | — | — | CN | claimed |
| CN-114634509-A | Full continuous flow preparation method of (-) -tetrahydroberberine alkaloid | 复旦大学 | 2022-06-17 | — | — | CN | claimed |
| CN-114634509-B | Full continuous flow preparation method of (-) -tetrahydroberberine | 复旦大学 | 2024-07-02 | — | — | CN | disclosed |
| CN-114634509-A | Full continuous flow preparation method of (-) -tetrahydroberberine alkaloid | 复旦大学 | 2022-06-17 | — | — | CN | disclosed |