⚠ 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL5246988 | 0.89 | — | — | |
| Imidazole SCHEMBL28843634 | 0.84 | — | — | |
| Imidazole SCHEMBL28410720 | 0.84 | ALDH1A1 (0.68) | — | |
| Imidazole SCHEMBL27971501 | 0.83 | ALDH1A1 (0.87) | — | |
| Imidazole SCHEMBL7479273 | 0.83 | — | — | |
| Imidazole SCHEMBL897 | 0.83 | — | — | |
| Imidazole SCHEMBL1331920 | 0.83 | — | — | |
| Imidazole SCHEMBL2635292 | 0.83 | — | — | |
| Imidazole SCHEMBL1331382 | 0.83 | — | — | |
| Imidazole SCHEMBL2684565 | 0.83 | ALDH1A1 (1.00) | — |
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-113957114-B | Method for synthesizing vitamin A palmitate by enzyme method | 万华化学集团股份有限公司 | 2023-05-26 | — | — | CN | disclosed |