⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28017994 | 0.86 | — | — | |
| SCHEMBL4723323 | 0.76 | — | — | |
| SCHEMBL9113074 | 0.75 | — | — | |
| SCHEMBL710247 | 0.70 | MEN1 (0.54) | — | |
| SCHEMBL710246 | 0.70 | MEN1 (0.54) | — | |
| SCHEMBL709126 | 0.69 | MEN1 (0.52) | — | |
| SCHEMBL709127 | 0.69 | MEN1 (0.52) | — | |
| SCHEMBL4718444 | 0.67 | — | — | |
| SCHEMBL17742276 | 0.67 | — | — | |
| SCHEMBL31124619 | 0.65 | CA12 (0.50) | — |
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-115350180-B | Application of marine-source tetrabromospirohexadienyl isoxazole compound in preparation of blood tumor treatment drugs | 上海交通大学医学院附属仁济医院 | 2023-09-05 | — | — | CN | claimed |
| CN-115350180-B | Application of marine-source tetrabromospirohexadienyl isoxazole compound in preparation of blood tumor treatment drugs | 上海交通大学医学院附属仁济医院 | 2023-09-05 | — | — | CN | disclosed |