⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19506878 | 0.55 | TOP2A (0.33) | — | |
| SCHEMBL4160455 | 0.55 | ALDH1A1 (0.44) | — | |
| SCHEMBL3975975 | 0.50 | TDP2 (0.33) | — | |
| SCHEMBL3826888 | 0.50 | ALDH1A1 (0.53) | — | |
| SCHEMBL15313038 | 0.48 | TDP2 (0.52) | — | |
| SCHEMBL24278676 | 0.47 | MAP3K14 (0.34) | — | |
| SCHEMBL2045070 | 0.47 | ALDH1A1 (0.42) | — | |
| SCHEMBL8985401 | 0.47 | HTR2C (0.34) | — | |
| SCHEMBL6152288 | 0.46 | NQO1 (0.52) | — | |
| SCHEMBL11891645 | 0.46 | HTR2A (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1671983-B1 | Catalysts compositions for the polymerization and copolymerization of alpha-olefins | REPSOL QUIMICA SA (ES) | 2009-02-25 | — | — | EP | disclosed |
| EP-1671983-A1 | Catalysts compositions for the polymerization and copolymerization of alpha-olefins | REPSOL QUIMICA S.A. (ES) | 2006-06-21 | — | — | EP | disclosed |