⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL454586 | 0.82 | — | — | |
| SCHEMBL28292730 | 0.82 | — | — | |
| SCHEMBL28089732 | 0.82 | — | — | |
| SCHEMBL6015407 | 0.82 | — | — | |
| SCHEMBL28796000 | 0.82 | — | — | |
| SCHEMBL28206809 | 0.82 | — | — | |
| SCHEMBL106069 | 0.67 | — | — | |
| SCHEMBL20815497 | 0.67 | — | — | |
| SCHEMBL219012 | 0.67 | — | — | |
| Water SCHEMBL22467856 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116637624-A | High-selectivity high-stability catalyst for preparing methanol from carbon dioxide and preparation method thereof | 厦门大学 | 2023-08-25 | — | — | CN | claimed |
| CN-116637624-B | High-selectivity high-stability catalyst for preparing methanol from carbon dioxide and preparation method thereof | 厦门大学 | 2024-10-22 | — | — | CN | disclosed |
| CN-116637624-A | High-selectivity high-stability catalyst for preparing methanol from carbon dioxide and preparation method thereof | 厦门大学 | 2023-08-25 | — | — | CN | disclosed |