⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30711819 | 1.00 | — | — | |
| SCHEMBL24649368 | 1.00 | — | — | |
| SCHEMBL23044055 | 1.00 | — | — | |
| SCHEMBL23053729 | 1.00 | — | — | |
| SCHEMBL10994358 | 0.83 | — | — | |
| SCHEMBL26197003 | 0.83 | — | — | |
| SCHEMBL16757293 | 0.81 | — | — | |
| SCHEMBL16771657 | 0.81 | — | — | |
| SCHEMBL16757128 | 0.81 | — | — | |
| SCHEMBL16757125 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023274383-A1 | KRAS G12D INHIBITOR AND USE THEREOF | 上海迪诺医药科技有限公司 | 2023-01-05 | — | — | WO | disclosed |