⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7517211 | 0.92 | ALOX5 (0.33) | — | |
| SCHEMBL7522339 | 0.86 | GABRA1 (0.35) | — | |
| SCHEMBL7526911 | 0.81 | GABRA1 (0.39) | — | |
| SCHEMBL8441588 | 0.79 | P4HB (0.34) | — | |
| SCHEMBL7523464 | 0.79 | — | — | |
| SCHEMBL7523704 | 0.77 | TYR (0.34) | — | |
| SCHEMBL7518999 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL7520240 | 0.74 | GABRA1 (0.38) | — | |
| SCHEMBL7520622 | 0.73 | FAAH (0.34) | — | |
| SCHEMBL8443601 | 0.72 | BID (0.36) | — |
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 |