⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17297969 | 0.71 | — | — | |
| SCHEMBL9732217 | 0.62 | GAA (0.32) | — | |
| SCHEMBL2479474 | 0.61 | — | — | |
| SCHEMBL19194413 | 0.58 | — | — | |
| SCHEMBL5758522 | 0.58 | PLK4 (0.36) | — | |
| SCHEMBL388290 | 0.58 | — | — | |
| SCHEMBL217851 | 0.57 | — | — | |
| SCHEMBL288679 | 0.57 | — | — | |
| SCHEMBL4922631 | 0.56 | — | — | |
| SCHEMBL30747079 | 0.55 | PLK4 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |