⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18947487 | 0.73 | — | — | |
| SCHEMBL25490278 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL17974513 | 0.67 | — | — | |
| SCHEMBL19287727 | 0.65 | — | — | |
| SCHEMBL24023634 | 0.62 | — | — | |
| SCHEMBL21665873 | 0.62 | — | — | |
| SCHEMBL18440718 | 0.62 | — | — | |
| SCHEMBL23986242 | 0.62 | — | — | |
| SCHEMBL19261473 | 0.62 | — | — | |
| SCHEMBL27249987 | 0.62 | — | — |
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-2021152149-A1 | RAS INHIBITORS AND METHODS OF USING THE SAME | JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) | 2021-08-05 | — | — | WO | disclosed |