⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL452643 | 0.79 | — | — | |
| SCHEMBL29005408 | 0.75 | DAO (0.32) | — | |
| SCHEMBL28175424 | 0.75 | PNP (0.35) | — | |
| SCHEMBL29184288 | 0.74 | — | — | |
| SCHEMBL29249152 | 0.70 | — | — | |
| SCHEMBL28099144 | 0.65 | — | — | |
| SCHEMBL19153111 | 0.57 | ADORA1 (0.41) | — | |
| Pterine SCHEMBL702492 | 0.55 | ALDH1A1 (0.40) | — | |
| Pterine SCHEMBL906055 | 0.55 | ALDH1A1 (0.40) | — | |
| Pterine SCHEMBL27339748 | 0.55 | ALDH1A1 (0.40) | — |
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-117821569-A | Biomarker for screening non-starch polysaccharide with hypoglycemic activity and application thereof | 暨南大学 | 2024-04-05 | — | — | CN | disclosed |