⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8636290 | 0.78 | — | — | |
| SCHEMBL11406708 | 0.67 | POLB (0.31) | — | |
| SCHEMBL7550688 | 0.67 | GAA (0.38) | — | |
| SCHEMBL19534181 | 0.64 | HSD17B10 (0.36) | — | |
| SCHEMBL11372712 | 0.64 | — | — | |
| SCHEMBL4336423 | 0.64 | — | — | |
| SCHEMBL11774797 | 0.64 | POLB (0.32) | — | |
| SCHEMBL162703 | 0.64 | ATAD2 (0.33) | — | |
| SCHEMBL6579528 | 0.64 | ATAD2 (0.33) | — | |
| SCHEMBL9732070 | 0.62 | POLB (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230073963-A1 | Synthesis of N-vinyl compounds by reacting cylic NH-compounds with acetylene in presence of homogenous catalyst | BASF SE (DE) | 2023-03-09 | — | — | US | disclosed |