⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28276200 | 1.00 | — | — | |
| SCHEMBL4201783 | 0.84 | GBA1 (0.35) | — | |
| SCHEMBL4201778 | 0.80 | GBA1 (0.31) | — | |
| SCHEMBL28274781 | 0.80 | YWHAZ (0.36) | — | |
| SCHEMBL28066867 | 0.77 | GBA1 (0.41) | — | |
| SCHEMBL28066822 | 0.77 | GBA1 (0.41) | — | |
| SCHEMBL14074868 | 0.76 | — | — | |
| SCHEMBL28112140 | 0.76 | GJB2 (0.34) | — | |
| SCHEMBL28111523 | 0.76 | GJB2 (0.34) | — | |
| SCHEMBL15894697 | 0.75 | CA1 (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105585597-B | The preparation method of glucosan derivative cationic-liposome nano particle | 湖南师范大学 | 2019-02-19 | — | — | CN | claimed |