⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13105608 | 0.68 | — | — | |
| SCHEMBL17893145 | 0.68 | — | — | |
| SCHEMBL6674261 | 0.68 | — | — | |
| SCHEMBL2265283 | 0.68 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL16608511 | 0.65 | — | — | |
| SCHEMBL7852314 | 0.65 | — | — | |
| SCHEMBL7852310 | 0.65 | — | — | |
| SCHEMBL13005174 | 0.65 | CHRNB2 (0.39) | — | |
| SCHEMBL7003356 | 0.65 | ALPL (0.31) | — | |
| SCHEMBL12557683 | 0.64 | — | — |
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 |