⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3198345 | 0.95 | — | — | |
| SCHEMBL1043060 | 0.82 | — | — | |
| SCHEMBL6433483 | 0.76 | ALDH1A1 (0.33) | — | |
| Isopropyl Alcohol SCHEMBL28273844 | 0.72 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL8435475 | 0.72 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL23581430 | 0.72 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL76390 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL14797686 | 0.72 | — | — | |
| SCHEMBL2547986 | 0.70 | — | — | |
| SCHEMBL1216762 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111212856-B | Toluene-free silica-supported single-site metallocene catalysts from in situ formation of supported alumoxanes in aliphatic solvents | 埃克森美孚化学专利公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-110283280-B | Metal complex catalyst, polymerization process using the same, and polymer product thereof | 株式会社普利司通 | 2022-11-04 | — | — | CN | disclosed |