⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29110138 | 0.94 | — | — | |
| SCHEMBL29110212 | 0.83 | — | — | |
| SCHEMBL5597843 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL357696 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL29110195 | 0.76 | — | — | |
| SCHEMBL29110198 | 0.76 | — | — | |
| SCHEMBL357534 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL1737364 | 0.75 | MAPT (0.32) | — | |
| Hydrochloric Acid SCHEMBL2872725 | 0.75 | MAPT (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL28176082 | 0.73 | SMN1; SMN2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116903538-A | Imidazole ionic compound containing fluorosulfonate radical and synthesis and application thereof | 杭州宝明新材料科技有限公司 | 2023-10-20 | — | — | CN | disclosed |