⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4879298 | 0.77 | HPRT1 (0.30) | — | |
| SCHEMBL13731906 | 0.72 | HPRT1 (0.35) | — | |
| SCHEMBL2411231 | 0.69 | PNP (0.32) | — | |
| SCHEMBL3122075 | 0.59 | HPRT1 (0.36) | — | |
| SCHEMBL22638079 | 0.58 | NOS2 (0.52) | — | |
| Pterine SCHEMBL4879287 | 0.56 | AKR1B1 (0.51) | — | |
| Pterine SCHEMBL64321 | 0.54 | ALDH1A1 (0.41) | — | |
| Pterine SCHEMBL702492 | 0.53 | ALDH1A1 (0.40) | — | |
| Pterine SCHEMBL5703599 | 0.53 | ALDH1A1 (0.40) | — | |
| Pterine SCHEMBL906055 | 0.53 | 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 |