⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2199914 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL2199919 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL14706974 | 0.77 | — | — | |
| SCHEMBL15747716 | 0.76 | PTGS1 (0.32) | — | |
| SCHEMBL19261167 | 0.75 | — | — | |
| SCHEMBL25889645 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL26793795 | 0.71 | — | — | |
| SCHEMBL10284176 | 0.69 | — | — | |
| SCHEMBL23666212 | 0.69 | — | — | |
| SCHEMBL21468362 | 0.69 | — | — |
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-2017031599-A1 | PREPARATION OF SULFONAMIDE-CONTAINING ANTIMICROBIALS AND SUBSTRATE TREATING COMPOSITIONS OF SULFONAMIDE-CONTAINING ANTIMICROBIALS | NANO SAFE COATINGS INCORPORATED (A FLORIDA CORPORATION 3 P 14000024914) (US) | 2017-03-02 | — | — | WO | disclosed |
| WO-2013040768-A1 | Method of making sulfonic group-containing aromatic compound | TORAY FIBERS & TEXTILES RESEARCH LABORATORIES (CHINA) CO., LTD. (CN) | 2013-03-28 | — | — | WO | disclosed |