⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126597 | 0.81 | — | — | |
| SCHEMBL10017391 | 0.79 | — | — | |
| SCHEMBL1958674 | 0.77 | — | — | |
| SCHEMBL2853648 | 0.75 | — | — | |
| SCHEMBL14265373 | 0.74 | — | — | |
| SCHEMBL28463639 | 0.74 | — | — | |
| SCHEMBL1519065 | 0.74 | — | — | |
| SCHEMBL6842421 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL28966876 | 0.74 | — | — | |
| Methyl Alcohol SCHEMBL28320506 | 0.72 | — | — |
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-1701963-A1 | HALOALUMINOXANE COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS | ALBEMARLE CORPORATION (US) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005066191-A1 | HALOALUMINOXANE COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS | ALBEMARLE CORPORATION (US) | 2005-07-21 | — | — | WO | disclosed |