⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125669 | 0.90 | — | — | |
| SCHEMBL19124550 | 0.87 | — | — | |
| SCHEMBL28054317 | 0.87 | — | — | |
| SCHEMBL31633557 | 0.87 | — | — | |
| SCHEMBL5498474 | 0.83 | — | — | |
| SCHEMBL29600564 | 0.79 | — | — | |
| SCHEMBL30086950 | 0.79 | — | — | |
| Oxalic Acid SCHEMBL28900038 | 0.77 | — | — | |
| SCHEMBL3318908 | 0.73 | — | — | |
| SCHEMBL13499231 | 0.73 | — | — |
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-1392738-A1 | ALUMINOBORANATE ACTIVATORS FOR SINGLE-SITE OLEFIN POLYMERIZATION CATALYSTS | Equistar Chemicals, LP (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002098930-A1 | ALUMINOBORANATE ACTIVATORS FOR SINGLE-SITE OLEFIN POLYMERIZATION CATALYSTS | EQUISTAR CHEMICALS, LP (US) | 2002-12-12 | — | — | WO | disclosed |