⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27706307 | 0.85 | — | — | |
| SCHEMBL7693105 | 0.78 | TDP1 (0.50) | — | |
| SCHEMBL20848180 | 0.76 | TDP1 (0.47) | — | |
| SCHEMBL1710128 | 0.76 | — | — | |
| SCHEMBL27878537 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL11763603 | 0.74 | — | — | |
| SCHEMBL28738271 | 0.74 | — | — | |
| SCHEMBL15223139 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL619312 | 0.73 | TDP1 (0.69) | — | |
| SCHEMBL7047113 | 0.72 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| 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 |