⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30327046 | 0.84 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL34471275 | 0.82 | — | — | |
| SCHEMBL29021755 | 0.78 | USP2 (0.42) | — | |
| SCHEMBL29833748 | 0.78 | — | — | |
| SCHEMBL22900060 | 0.77 | KCNQ3 (0.34) | — | |
| SCHEMBL22900032 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL23245626 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL21591072 | 0.74 | CNR2 (0.32) | — | |
| SCHEMBL21585780 | 0.72 | — | — | |
| SCHEMBL23623874 | 0.72 | — | — |
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 |