⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30752593 | 0.84 | — | — | |
| SCHEMBL30752591 | 0.79 | — | — | |
| SCHEMBL30752633 | 0.78 | GBA1 (0.33) | — | |
| SCHEMBL30752575 | 0.78 | — | — | |
| SCHEMBL24616257 | 0.75 | — | — | |
| SCHEMBL30752565 | 0.73 | — | — | |
| SCHEMBL30752568 | 0.73 | — | — | |
| SCHEMBL30752566 | 0.73 | — | — | |
| SCHEMBL30752602 | 0.71 | PDE2A (0.34) | — | |
| SCHEMBL32672703 | 0.71 | HTT (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4565579-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS | Theras, Inc. (US) | 2025-06-11 | — | — | EP | disclosed |