⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8447476 | 0.76 | — | — | |
| SCHEMBL31603291 | 0.72 | — | — | |
| SCHEMBL4539488 | 0.72 | — | — | |
| SCHEMBL17100023 | 0.71 | — | — | |
| SCHEMBL23778180 | 0.69 | — | — | |
| SCHEMBL9145814 | 0.69 | — | — | |
| SCHEMBL10421455 | 0.69 | — | — | |
| SCHEMBL782303 | 0.69 | NUDT1 (0.33) | — | |
| SCHEMBL7465332 | 0.69 | — | — | |
| SCHEMBL778621 | 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-117917416-A | KRAS G12D degradation agent and preparation method and application thereof | 上海领泰生物医药科技有限公司 | 2024-04-23 | — | — | CN | disclosed |