⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9431744 | 0.70 | — | — | |
| SCHEMBL10621319 | 0.58 | CA2 (0.39) | — | |
| SCHEMBL24309600 | 0.55 | ESR1 (0.54) | — | |
| SCHEMBL29620063 | 0.55 | GFER (0.54) | — | |
| SCHEMBL4591232 | 0.55 | — | — | |
| SCHEMBL24309599 | 0.53 | TAAR1 (0.53) | — | |
| SCHEMBL16326990 | 0.53 | TYMS (0.41) | — | |
| SCHEMBL14444589 | 0.53 | — | — | |
| SCHEMBL14498190 | 0.51 | — | — | |
| SCHEMBL575937 | 0.51 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7405231-B2 | Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole | HOFFMANN-LA ROCHE INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-7235574-B2 | Pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| EP-1725549-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| EP-1725551-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095393-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |
| WO-2005095388-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |
| US-20050203064-A1 | Novel oxidized thioether derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-15 | — | — | US | disclosed |
| US-20050197370-A1 | Novel pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. | 2005-09-08 | — | — | US | disclosed |