⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29937140 | 1.00 | — | — | |
| SCHEMBL24802950 | 0.76 | AMY1A (0.32) | — | |
| SCHEMBL18299332 | 0.76 | IKBKB (0.37) | — | |
| SCHEMBL23562909 | 0.71 | PDPK1 (0.33) | — | |
| SCHEMBL31393082 | 0.71 | DYRK1A (0.32) | — | |
| SCHEMBL26404730 | 0.71 | AXL (0.31) | — | |
| SCHEMBL29937175 | 0.71 | AXL (0.31) | — | |
| SCHEMBL25547735 | 0.70 | DRD1 (0.33) | — | |
| SCHEMBL31393075 | 0.69 | DYRK1A (0.31) | — | |
| SCHEMBL31642307 | 0.69 | — | — |
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 3 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 |