⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29344218 | 0.79 | POLB (0.31) | — | |
| SCHEMBL29344216 | 0.76 | FFAR4 (0.30) | — | |
| SCHEMBL29344163 | 0.71 | — | — | |
| SCHEMBL13484249 | 0.68 | FFAR4 (0.38) | — | |
| SCHEMBL14424434 | 0.66 | FFAR4 (0.42) | — | |
| SCHEMBL31437281 | 0.65 | HDAC1 (0.33) | — | |
| SCHEMBL10052628 | 0.65 | ACHE (0.36) | — | |
| SCHEMBL26674703 | 0.65 | HDAC1 (0.33) | — | |
| SCHEMBL16707469 | 0.65 | PTGS1 (0.39) | — | |
| SCHEMBL3683516 | 0.65 | GPR3 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240239788-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2024-07-18 | — | — | US | disclosed |
| US-20240239788-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2024-07-18 | — | — | US | disclosed |
| US-20240239788-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2024-07-18 | — | — | US | disclosed |
| 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 |