⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3015868 | 0.83 | PSEN1 (0.54) | — | |
| SCHEMBL27326458 | 0.79 | — | — | |
| SCHEMBL27326454 | 0.79 | — | — | |
| SCHEMBL27326455 | 0.79 | — | — | |
| SCHEMBL27331348 | 0.75 | SMYD3 (0.38) | — | |
| SCHEMBL27326283 | 0.75 | SMYD3 (0.38) | — | |
| SCHEMBL27395214 | 0.75 | SMYD3 (0.38) | — | |
| SCHEMBL27326724 | 0.73 | EPHX2 (0.33) | — | |
| SCHEMBL13154406 | 0.73 | EPHX2 (0.33) | — | |
| SCHEMBL27326721 | 0.73 | EPHX2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116096710-A | 4-oxo-3, 4-dihydroquinazolinone compounds for the treatment of BRAF related diseases and disorders | 阿雷生物药品公司 | 2023-05-09 | — | — | CN | disclosed |