⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1672462 | 1.00 | — | — | |
| SCHEMBL4968 | 0.78 | — | — | |
| SCHEMBL110425 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28213058 | 0.76 | — | — | |
| SCHEMBL2629277 | 0.72 | — | — | |
| SCHEMBL8524524 | 0.72 | — | — | |
| SCHEMBL3422108 | 0.71 | CYP11B1 (0.43) | — | |
| Dimethylamine SCHEMBL19211916 | 0.71 | GRM5 (0.34) | — | |
| SCHEMBL27934900 | 0.69 | CYP1A2 (0.37) | — | |
| SCHEMBL26137428 | 0.69 | — | — |
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-116478145-A | ALK2 kinase inhibitors | 杭州邦顺制药有限公司 | 2023-07-25 | — | — | CN | disclosed |