⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30849503 | 0.87 | — | — | |
| SCHEMBL30849507 | 0.80 | TP53 (0.33) | — | |
| SCHEMBL30849508 | 0.80 | TP53 (0.33) | — | |
| SCHEMBL30849514 | 0.78 | TP53 (0.33) | — | |
| SCHEMBL31468712 | 0.77 | GBA1 (0.34) | — | |
| SCHEMBL30849506 | 0.76 | — | — | |
| SCHEMBL30849512 | 0.68 | GAA (0.35) | — | |
| SCHEMBL30849505 | 0.65 | — | — | |
| SCHEMBL30849511 | 0.64 | — | — | |
| Water SCHEMBL28902707 | 0.61 | TP53 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117861394-A | Ionic liquid for capturing carbon dioxide | 中集安瑞科工程科技有限公司 | 2024-04-12 | — | — | CN | claimed |
| CN-117861394-A | Ionic liquid for capturing carbon dioxide | 中集安瑞科工程科技有限公司 | 2024-04-12 | — | — | CN | disclosed |