⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27317152 | 0.70 | IDO1 (0.35) | — | |
| SCHEMBL31005127 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL3198859 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL3203722 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL30249390 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL3682424 | 0.66 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL31108774 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL31108775 | 0.65 | HSD11B1 (0.33) | — | |
| SCHEMBL514109 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL3190148 | 0.62 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014184070-A1 | MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES | SYNGENTA LIMITED (GB) | 2014-11-20 | — | — | WO | disclosed |
| EP-2336104-A1 | ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE | Nissan Chemical Industries, Ltd. (JP) | 2011-06-22 | — | — | EP | disclosed |