⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL801782 | 0.77 | S100A4 (0.36) | — | |
| Ethane SCHEMBL11661866 | 0.72 | S100A4 (0.33) | — | |
| SCHEMBL8780160 | 0.70 | — | — | |
| SCHEMBL8674401 | 0.68 | — | — | |
| SCHEMBL31433154 | 0.67 | — | — | |
| SCHEMBL5115934 | 0.65 | — | — | |
| SCHEMBL10046205 | 0.61 | — | — | |
| SCHEMBL12159902 | 0.61 | — | — | |
| SCHEMBL13019275 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL12706333 | 0.61 | — | — |
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-0445302-A1 | PROCESS FOR PRODUCING POLY-$g(a)-OLEFIN | Tonen Corporation (JP) | 1991-09-11 | — | — | EP | disclosed |
| EP-0445303-A1 | PROCESS FOR PRODUCING POLY-$g(a)-OLEFIN | Tonen Corporation (JP) | 1991-09-11 | — | — | EP | disclosed |