⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11282937 | 0.79 | — | — | |
| SCHEMBL10626887 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL10622664 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL7361973 | 0.74 | FYN (0.33) | — | |
| SCHEMBL19404880 | 0.69 | PYGB (0.41) | — | |
| SCHEMBL10622682 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL10625495 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL21195147 | 0.67 | GBA1 (0.41) | — | |
| SCHEMBL45853 | 0.61 | — | — | |
| SCHEMBL163447 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024076672-A1 | HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF | AMGEN INC. (US) | 2024-04-11 | — | — | WO | disclosed |