⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43291 | 0.93 | — | — | |
| SCHEMBL28834132 | 0.89 | — | — | |
| SCHEMBL11645377 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL27758865 | 0.89 | — | — | |
| Water SCHEMBL1702515 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL29978790 | 0.89 | — | — | |
| Ether SCHEMBL1702514 | 0.89 | ALDH1A1 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL1788507 | 0.89 | — | — | |
| SCHEMBL2473861 | 0.89 | ALDH1A1 (0.50) | — | |
| Arsenic SCHEMBL28159423 | 0.89 | — | — |
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-117295742-A | New forms of compound I and their use | 北京加科思新药研发有限公司 | 2023-12-26 | — | — | CN | disclosed |