⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23212276 | 1.00 | — | — | |
| SCHEMBL84792 | 0.86 | — | — | |
| SCHEMBL26011205 | 0.86 | — | — | |
| SCHEMBL26011209 | 0.86 | — | — | |
| SCHEMBL30917693 | 0.86 | — | — | |
| SCHEMBL178545 | 0.86 | — | — | |
| SCHEMBL1086946 | 0.86 | — | — | |
| Bromide SCHEMBL7595850 | 0.84 | POLB (0.48) | — | |
| Iodide SCHEMBL28525835 | 0.84 | POLB (0.48) | — | |
| SCHEMBL4092607 | 0.83 | — | — |
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-20240182470-A1 | KRASG12C MUTANT PROTEIN INHIBITOR, PREARATION AND USE THEREOF | YA THERAPEUTICS INC (CN) | 2024-06-06 | — | — | US | disclosed |