⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16311796 | 0.79 | — | — | |
| SCHEMBL29405862 | 0.75 | — | — | |
| SCHEMBL125704 | 0.75 | — | — | |
| SCHEMBL406747 | 0.75 | — | — | |
| SCHEMBL503213 | 0.72 | ESR2 (0.74) | — | |
| Methylhydroquinone SCHEMBL29364957 | 0.72 | — | — | |
| SCHEMBL29494601 | 0.72 | ESR2 (0.74) | — | |
| Hydrochloric Acid SCHEMBL7074606 | 0.72 | ACHE (0.52) | — | |
| Methylhydroquinone SCHEMBL10426478 | 0.72 | TP53 (0.62) | — | |
| SCHEMBL3806073 | 0.72 | ACHE (0.52) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009034388-A1 | COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS | PROSIDION LIMITED (GB) | 2009-03-19 | — | — | WO | disclosed |
| EP-1458700-B1 | SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS | WYETH CORP (US) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008040441-A2 | SILICON DERIVATIVES FOR PET IMAGING | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-04-10 | — | — | WO | disclosed |
| WO-2007056497-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-05-18 | — | — | WO | disclosed |