⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4388484 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4385474 | 0.75 | — | — | |
| SCHEMBL8215528 | 0.75 | — | — | |
| SCHEMBL8217199 | 0.72 | — | — | |
| SCHEMBL6674741 | 0.68 | — | — | |
| SCHEMBL8215727 | 0.67 | — | — | |
| SCHEMBL9073355 | 0.67 | — | — | |
| SCHEMBL31542512 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6812348 | 0.64 | — | — | |
| SCHEMBL4652462 | 0.63 | — | — |
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-6232256-B1 | CONTACTING A CYCLOALKADIENYL COMPOUND, A TRANSITION METAL AMIDE, AN ALUMINOXANE, AND OPTIONALLY A SOLID SUPPORT | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-05-15 | — | — | US | disclosed |
| EP-0933383-A1 | Catalyst composition for the polymerization of olefins | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-08-04 | — | — | EP | disclosed |