⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7519621 | 0.78 | ESR1 (0.33) | — | |
| SCHEMBL7515139 | 0.75 | ESR1 (0.36) | — | |
| SCHEMBL7525668 | 0.70 | ESR1 (0.33) | — | |
| SCHEMBL7525047 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL29598947 | 0.69 | ACHE (0.42) | — | |
| SCHEMBL5157668 | 0.69 | ACHE (0.42) | — | |
| SCHEMBL7529819 | 0.68 | — | — | |
| SCHEMBL7523453 | 0.68 | ESR1 (0.36) | — | |
| SCHEMBL28271498 | 0.65 | ALOX15 (0.41) | — | |
| SCHEMBL10888338 | 0.63 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900225-B1 | ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS | AVENTIS PHARMA INC (US) | 2002-01-30 | — | — | EP | disclosed |
| US-5608095-A | Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents | HOECHST MARION ROUSSEL, INC. (US) | 1997-03-04 | — | — | US | disclosed |