⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2229904 | 0.86 | — | — | |
| SCHEMBL1258558 | 0.86 | — | — | |
| SCHEMBL16423551 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL2969315 | 0.74 | — | — | |
| SCHEMBL7357714 | 0.74 | — | — | |
| SCHEMBL2042417 | 0.74 | — | — | |
| SCHEMBL282133 | 0.74 | — | — | |
| SCHEMBL8572801 | 0.72 | MEN1 (0.70) | — | |
| SCHEMBL11624199 | 0.72 | HPGD (0.35) | — | |
| SCHEMBL5116527 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7462725-B2 | Chloromethylation of thiophene | SANOFI-AVENTIS (FR) | 2008-12-09 | — | — | US | disclosed |
| US-20060161008-A1 | Chloromethylation of thiophene, using aqueous concentrated hydrochloric acid, gaseous hydrogen chloride and paraformaldehyde, in the presence of acetone or methyl-ethyl-ketone or methyl-isobutyl-ketone to produce 2-chloro-methyl-thiophene | SANOFI (FR) | 2006-07-20 | — | — | US | disclosed |
| EP-1392672-B1 | CHLOROMETHYLATION OF THIOPHENE | SANOFI AVENTIS (FR) | 2005-05-04 | — | — | EP | disclosed |
| EP-1392672-A1 | CHLOROMETHYLATION OF THIOPHENE | Sanofi-Aventis (FR) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002094806-A1 | CHLOROMETHYLATION OF THIOPHENE | SANOFI-SYNTHELABO (FR) | 2002-11-28 | — | — | WO | disclosed |