⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8333534 | 0.86 | — | — | |
| SCHEMBL153452 | 0.82 | — | — | |
| SCHEMBL1043690 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL216199 | 0.78 | — | — | |
| SCHEMBL216534 | 0.77 | — | — | |
| SCHEMBL6724791 | 0.77 | — | — | |
| SCHEMBL6444742 | 0.76 | — | — | |
| SCHEMBL6300296 | 0.75 | — | — | |
| SCHEMBL217507 | 0.75 | — | — | |
| SCHEMBL8682025 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6225252-B1 | HYDROPHILIC INORGANIC OXIDE OF AN ELEMENT OF MAIN GROUPS 2, 13 OR 14 OR TRANSITION GROUP 4 IS DRIED, SUBSEQUENTLY REACTED, IF DESIRED, WITH ALUMOXANES OR ALUMINUM ALKYLS AND SUBSEQUENTLY REACTED SIMULTANEOUSLY WITH ALUMINOXANES AND BISPHENOL A | BOREALIS AG (AT) | 2001-05-01 | — | — | US | disclosed |
| US-5945367-A | Metallocenes with silyl-substituted bridges and their use for olefin polymerization | BOREALIS AG (AT) | 1999-08-31 | — | — | US | disclosed |
| US-5932514-A | HEATING MIXTURE OF METAL OXIDES AND ORGANOALUMINUM COMPOUND | BOREALIS AG (AT) | 1999-08-03 | — | — | US | disclosed |