⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30968555 | 0.85 | KDM1A (0.31) | — | |
| SCHEMBL30968418 | 0.81 | — | — | |
| SCHEMBL30968429 | 0.77 | GPR119 (0.31) | — | |
| SCHEMBL30968556 | 0.77 | DPP4 (0.32) | — | |
| SCHEMBL30968422 | 0.76 | — | — | |
| SCHEMBL30968464 | 0.75 | BRD3 (0.30) | — | |
| SCHEMBL30968553 | 0.73 | ACHE (0.33) | — | |
| SCHEMBL30968419 | 0.73 | OPRK1 (0.36) | — | |
| SCHEMBL30741098 | 0.73 | PSEN1 (0.39) | — | |
| SCHEMBL30968408 | 0.72 | HRH3 (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-112867712-B | Carboxamide as ubiquitin-specific protease inhibitor | 瓦洛早期发现股份有限公司 | 2024-07-16 | — | — | CN | disclosed |