⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29344192 | 0.81 | — | — | |
| SCHEMBL359564 | 0.77 | GCGR (0.30) | — | |
| SCHEMBL6439647 | 0.75 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL27411309 | 0.75 | IMPDH2 (0.31) | — | |
| SCHEMBL29843172 | 0.75 | TAS1R3 (0.31) | — | |
| SCHEMBL19688010 | 0.75 | TAS1R3 (0.31) | — | |
| SCHEMBL359368 | 0.74 | TAS1R3 (0.33) | — | |
| SCHEMBL10983264 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL10983555 | 0.71 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL1808733 | 0.70 | TAS1R3 (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 1 patent. 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 |