⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4187798 | 0.77 | — | — | |
| SCHEMBL5852720 | 0.74 | — | — | |
| SCHEMBL9118669 | 0.73 | — | — | |
| SCHEMBL1014391 | 0.73 | — | — | |
| SCHEMBL1013133 | 0.71 | — | — | |
| SCHEMBL304934 | 0.71 | — | — | |
| SCHEMBL93338 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL137776 | 0.67 | — | — | |
| SCHEMBL12269632 | 0.65 | — | — | |
| SCHEMBL11758173 | 0.65 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7087764-B2 | Process for producing arylsulfenyl halide | SHIONOGI & CO., LTD. (JP) | 2006-08-08 | — | — | US | disclosed |
| US-20030195363-A1 | Process for producing arylsulfenyl halide | AOKI TSUTOMU (JP) | 2003-10-16 | — | — | US | disclosed |
| EP-1072588-B1 | PROCESS FOR PRODUCING ARYLSULFENYL HALIDE | SHIONOGI & CO (JP) | 2003-07-09 | — | — | EP | disclosed |
| EP-1072588-A1 | PROCESS FOR PRODUCING ARYLSULFENYL HALIDE | SHIONOGI & CO., LTD. (JP) | 2001-01-31 | — | — | EP | disclosed |