⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28144215 | 0.97 | — | — | |
| SCHEMBL669053 | 0.75 | — | — | |
| SCHEMBL21801422 | 0.75 | — | — | |
| SCHEMBL12164286 | 0.75 | — | — | |
| Sulfuric Acid SCHEMBL11527855 | 0.73 | CA5A (0.43) | — | |
| SCHEMBL3319017 | 0.73 | — | — | |
| SCHEMBL31438151 | 0.73 | — | — | |
| SCHEMBL11746564 | 0.73 | — | — | |
| SCHEMBL19066387 | 0.71 | CA5A (0.31) | — | |
| SCHEMBL20531022 | 0.71 | CA5A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2454233-A2 | SULFONATE SURFACTANTS AND METHODS OF PREPARATION AND USE | Dow Global Technologies LLC (US) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011008570-A2 | SULFONATE SURFACTANTS AND METHODS OF PREPARATION AND USE | DOW GLOBAL TECHNOLOGIES, INC. (US) | 2011-01-20 | — | — | WO | disclosed |