⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15296979 | 1.00 | — | — | |
| SCHEMBL21890586 | 0.77 | GNAI3 (0.30) | — | |
| SCHEMBL19159907 | 0.77 | GNAI3 (0.30) | — | |
| SCHEMBL23628749 | 0.76 | — | — | |
| SCHEMBL7252176 | 0.76 | — | — | |
| SCHEMBL18477434 | 0.76 | — | — | |
| SCHEMBL23339265 | 0.76 | — | — | |
| SCHEMBL22871574 | 0.76 | — | — | |
| SCHEMBL23759228 | 0.73 | — | — | |
| SCHEMBL19619588 | 0.71 | — | — |
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-2023081840-A1 | KRAS G12C INHIBITORS | FRONTIER MEDICINES CORPORATION (US) | 2023-05-11 | — | — | WO | disclosed |