⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28628599 | 1.00 | — | — | |
| Cyanide SCHEMBL27963976 | 0.93 | MEN1 (0.33) | — | |
| SCHEMBL6711366 | 0.79 | — | — | |
| SCHEMBL29562566 | 0.79 | — | — | |
| SCHEMBL7887262 | 0.79 | — | — | |
| SCHEMBL29374917 | 0.79 | — | — | |
| SCHEMBL6172813 | 0.75 | — | — | |
| SCHEMBL2596902 | 0.75 | — | — | |
| SCHEMBL1967648 | 0.75 | — | — | |
| SCHEMBL22465644 | 0.75 | — | — |
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-116171155-B | Pyrido [2,3-d ] pyrimidine-2 (1H) -ketone derivative, preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2024-09-17 | — | — | CN | disclosed |
| CN-116171155-A | Pyrido [2,3-d ] pyrimidine-2 (1H) -ketone derivative, preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-05-26 | — | — | CN | disclosed |