⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23829645 | 0.62 | — | — | |
| SCHEMBL9191979 | 0.61 | — | — | |
| SCHEMBL6925799 | 0.56 | — | — | |
| SCHEMBL23829768 | 0.56 | — | — | |
| SCHEMBL30254555 | 0.56 | — | — | |
| SCHEMBL13929441 | 0.56 | — | — | |
| SCHEMBL5985675 | 0.56 | — | — | |
| SCHEMBL10658621 | 0.56 | — | — | |
| Benzene SCHEMBL6537104 | 0.55 | — | — | |
| SCHEMBL13140760 | 0.54 | TSHR (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022121356-A1 | COMPOSITION AND USE THEREOF IN IMPROVING ANTI-TUMOR EFFECT OF VITAMIN C | 中国科学院广州生物医药与健康研究院 | 2022-06-16 | — | — | WO | claimed |
| WO-2022121356-A1 | COMPOSITION AND USE THEREOF IN IMPROVING ANTI-TUMOR EFFECT OF VITAMIN C | 中国科学院广州生物医药与健康研究院 | 2022-06-16 | — | — | WO | disclosed |
| US-5756832-A | REACTING AN ALDHYDE WITH AN ORTHOFORMATE IN THE PRESENCE OF AN ACID CATALYST AND AN ALCOHOL | BRISTOL-MYERS SQUIBB CO. (US) | 1998-05-26 | — | — | US | disclosed |