⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25328432 | 0.82 | USP14 (0.32) | — | |
| SCHEMBL3822469 | 0.81 | — | — | |
| SCHEMBL29937291 | 0.81 | KDM1A (0.32) | — | |
| SCHEMBL25211808 | 0.81 | DPP4 (0.30) | — | |
| SCHEMBL25415541 | 0.81 | DPP4 (0.30) | — | |
| SCHEMBL25413586 | 0.80 | — | — | |
| SCHEMBL30520607 | 0.80 | — | — | |
| SCHEMBL25414126 | 0.80 | — | — | |
| SCHEMBL30520497 | 0.80 | — | — | |
| SCHEMBL30520662 | 0.79 | DPP4 (0.30) | — |
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 |