⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5693108 | 0.80 | GAA (0.31) | — | |
| SCHEMBL9007349 | 0.77 | TLR8 (0.32) | — | |
| SCHEMBL6554132 | 0.76 | GAA (0.32) | — | |
| SCHEMBL17309878 | 0.75 | PTGS2 (0.47) | — | |
| SCHEMBL5692441 | 0.74 | — | — | |
| SCHEMBL7758054 | 0.73 | NPC1 (0.42) | — | |
| SCHEMBL5692525 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL8944903 | 0.68 | HPN (0.44) | — | |
| SCHEMBL5692437 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL6553688 | 0.67 | MEN1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0464852-B1 | Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants | MERRELL DOW PHARMA (US) | 1996-03-20 | — | — | EP | claimed |
| US-5155250-A | 2,6-DI-ALKYL-4-SILYL-PHENOLS AS ANTIATHEROSCEROTIC AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-10-13 | — | — | US | claimed |
| EP-0464852-A1 | Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants | MERRELL PHARMACEUTICALS INC. (US) | 1992-01-08 | — | — | EP | claimed |
| US-5532400-A | 2,6-di-alkyl-4-silyl-phenols as antiatheroscelerotic agents | MERRELL PHARMACEUTICALS INC. (US) | 1996-07-02 | — | — | US | disclosed |
| EP-0464852-B1 | Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants | MERRELL DOW PHARMA (US) | 1996-03-20 | — | — | EP | disclosed |
| US-5155250-A | 2,6-DI-ALKYL-4-SILYL-PHENOLS AS ANTIATHEROSCEROTIC AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-10-13 | — | — | US | disclosed |
| EP-0464852-A1 | Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants | MERRELL PHARMACEUTICALS INC. (US) | 1992-01-08 | — | — | EP | disclosed |