⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25613890 | 0.83 | — | — | |
| SCHEMBL21653407 | 0.83 | — | — | |
| SCHEMBL29344190 | 0.81 | — | — | |
| SCHEMBL19903788 | 0.77 | — | — | |
| SCHEMBL10195689 | 0.77 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL8240741 | 0.76 | — | — | |
| SCHEMBL18135321 | 0.75 | — | — | |
| SCHEMBL16182174 | 0.74 | — | — | |
| SCHEMBL21938198 | 0.74 | — | — | |
| SCHEMBL24649113 | 0.74 | — | — |
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 |