⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9425908 | 0.84 | — | — | |
| SCHEMBL3701429 | 0.72 | — | — | |
| SCHEMBL3242490 | 0.69 | — | — | |
| SCHEMBL3922983 | 0.69 | — | — | |
| SCHEMBL9813036 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL44376 | 0.67 | — | — | |
| SCHEMBL3242487 | 0.65 | — | — | |
| SCHEMBL5694134 | 0.65 | — | — | |
| Butane SCHEMBL3361907 | 0.65 | — | — | |
| SCHEMBL412520 | 0.64 | — | — |
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-118119594-A | Camptothecin derivative intermediate, preparation method and application thereof | 上海弼领生物技术有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-109705124-B | Radioactive fluorine labeled Larotrectinib compound and preparation method thereof | 上海健康医学院 | 2021-09-24 | — | — | CN | disclosed |