⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL866262 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL866263 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL14548765 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL12890126 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL10184232 | 0.73 | — | — | |
| SCHEMBL10183341 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL865141 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL865142 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL10183868 | 0.71 | PI4KA (0.32) | — | |
| SCHEMBL10149458 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120077814-A1 | SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES | WANG ZHONG (US) | 2012-03-29 | — | — | US | disclosed |