⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7069129 | 0.99 | — | — | |
| SCHEMBL7069006 | 0.88 | — | — | |
| SCHEMBL7069301 | 0.86 | — | — | |
| SCHEMBL7075324 | 0.83 | — | — | |
| SCHEMBL7068775 | 0.82 | — | — | |
| SCHEMBL7069230 | 0.82 | AKT1 (0.31) | — | |
| Butadiene SCHEMBL7072499 | 0.80 | — | — | |
| SCHEMBL7073333 | 0.80 | — | — | |
| SCHEMBL7069364 | 0.80 | POLB (0.32) | — | |
| SCHEMBL7073414 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030109730-A1 | Transition metal compound, addition polymerization catalyst component, addition polymerization catalyst and process for production of olefin polymer | NABIKA MASAAKI (JP) | 2003-06-12 | — | — | US | disclosed |
| 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 |