⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7068294 | 0.92 | — | — | |
| SCHEMBL7070300 | 0.92 | — | — | |
| Butadiene SCHEMBL7070327 | 0.91 | — | — | |
| SCHEMBL7196381 | 0.90 | — | — | |
| SCHEMBL7073919 | 0.89 | — | — | |
| SCHEMBL7072495 | 0.88 | — | — | |
| SCHEMBL7193160 | 0.87 | — | — | |
| SCHEMBL7073485 | 0.86 | — | — | |
| SCHEMBL7072845 | 0.86 | — | — | |
| SCHEMBL7072820 | 0.86 | — | — |
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-6528671-B1 | Such as cyclopentadienyl-trimethylphosphineimine-1,4-di-phenyl butandiene titanium complex; copolymerization of ethylene with other alpha-olefins | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-03-04 | — | — | US | disclosed |