⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14689262 | 0.78 | — | — | |
| SCHEMBL236181 | 0.77 | — | — | |
| SCHEMBL972257 | 0.77 | — | — | |
| SCHEMBL13815402 | 0.72 | — | — | |
| SCHEMBL1289862 | 0.71 | — | — | |
| SCHEMBL7544469 | 0.71 | CYP19A1 (0.37) | — | |
| SCHEMBL10834743 | 0.71 | DPP4 (0.39) | — | |
| SCHEMBL2569457 | 0.71 | CYP19A1 (0.36) | — | |
| SCHEMBL1098855 | 0.70 | — | — | |
| SCHEMBL6223317 | 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 16 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-7342030-B2 | Indole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-03-11 | — | — | US | disclosed |
| CN-100345845-C | Aniline derivatives, their manufacture and use as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2007-10-31 | — | — | CN | disclosed |
| US-7235574-B2 | Pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| EP-1797086-A1 | INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. Hoffmann-Roche AG (CH) | 2007-06-20 | — | — | EP | disclosed |
| CN-1930153-A | Pentafluorosulfanyl compounds, their preparation and use as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2007-03-14 | — | — | CN | disclosed |
| CN-1930156-A | Oxidized thioether derivatives of styryl-azoles and their use as HER tyrosine kinases inhibitors | HOFFMANN LA ROCHE (CH) | 2007-03-14 | — | — | CN | 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 |
| CN-1780830-A | Aniline derivatives, process for their preparation and their use as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2006-05-31 | — | — | CN | disclosed |
| WO-2006032509-A1 | INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-30 | — | — | WO | disclosed |
| US-20060063812-A1 | Indole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-23 | — | — | US | disclosed |
| WO-2005095388-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | 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 |
| 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 |