⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31328745 | 1.00 | — | — | |
| SCHEMBL27003499 | 1.00 | — | — | |
| SCHEMBL24272698 | 0.86 | SLC6A9 (0.31) | — | |
| SCHEMBL24730811 | 0.86 | SLC6A9 (0.31) | — | |
| SCHEMBL24649187 | 0.86 | SLC6A9 (0.31) | — | |
| SCHEMBL24858503 | 0.80 | — | — | |
| SCHEMBL29296742 | 0.80 | — | — | |
| SCHEMBL24616484 | 0.80 | — | — | |
| SCHEMBL25811805 | 0.79 | — | — | |
| SCHEMBL26885681 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240327425-A1 | KRAS G12D INHIBITOR AND USE THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2024-10-03 | — | — | US | disclosed |
| EP-4365176-A1 | KRAS G12D INHIBITOR AND USE THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2024-05-08 | — | — | EP | disclosed |