⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL221549 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL12499425 | 0.81 | — | — | |
| SCHEMBL4949794 | 0.81 | — | — | |
| SCHEMBL14110768 | 0.81 | DUT (0.34) | — | |
| SCHEMBL6639146 | 0.80 | — | — | |
| SCHEMBL6957445 | 0.79 | — | — | |
| SCHEMBL410518 | 0.77 | HDAC3 (0.31) | — | |
| SCHEMBL30300785 | 0.77 | — | — | |
| SCHEMBL25095322 | 0.76 | — | — | |
| SCHEMBL2168948 | 0.76 | — | — |
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-115703765-B | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2025-02-28 | — | — | CN | disclosed |
| CN-115703765-A | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |