⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29136578 | 1.00 | — | — | |
| SCHEMBL17748252 | 0.82 | PAX8 (0.41) | — | |
| SCHEMBL5859283 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL31042238 | 0.75 | — | — | |
| SCHEMBL3079675 | 0.75 | AKR1B1 (0.31) | — | |
| SCHEMBL31294868 | 0.74 | — | — | |
| SCHEMBL31294867 | 0.74 | — | — | |
| SCHEMBL4961423 | 0.74 | AKR1B1 (0.33) | — | |
| SCHEMBL4669444 | 0.74 | AKR1B1 (0.33) | — | |
| SCHEMBL8827983 | 0.74 | AKR1B1 (0.33) | — |
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-117362464-A | Method for modifying lotus root polysaccharide through acetylation and reaction process control device thereof | 武汉轻工大学 | 2024-01-09 | — | — | CN | disclosed |