⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23254520 | 0.84 | — | — | |
| SCHEMBL19930258 | 0.78 | — | — | |
| SCHEMBL20725257 | 0.76 | KISS1R (0.33) | — | |
| SCHEMBL21621507 | 0.76 | — | — | |
| SCHEMBL13435962 | 0.76 | — | — | |
| SCHEMBL5758826 | 0.72 | — | — | |
| SCHEMBL22046591 | 0.72 | — | — | |
| SCHEMBL22710446 | 0.70 | LMNA (0.40) | — | |
| SCHEMBL21235786 | 0.69 | — | — | |
| SCHEMBL28496612 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022034874-A1 | PREPARATION OR COMPOSITION CONTAINING ASCORBIC ACID COMPOUND AND METHOD FOR STABILIZING ASCORBIC ACID COMPOUND | ミヨシ油脂株式会社 | 2022-02-17 | — | — | WO | disclosed |