⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25086836 | 1.00 | — | — | |
| SCHEMBL2725516 | 0.85 | — | — | |
| SCHEMBL96485 | 0.78 | — | — | |
| SCHEMBL6360346 | 0.76 | MAPT (0.46) | — | |
| SCHEMBL3750742 | 0.76 | MAPT (0.46) | — | |
| SCHEMBL25831013 | 0.74 | — | — | |
| SCHEMBL12240494 | 0.74 | — | — | |
| SCHEMBL8186021 | 0.74 | — | — | |
| SCHEMBL25528158 | 0.74 | — | — | |
| SCHEMBL2528347 | 0.74 | — | — |
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-113061116-B | Aminopyrimidine compound, preparation method, composition and application thereof | 上海医药工业研究院 | 2023-07-25 | — | — | CN | disclosed |