⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL186198 | 0.95 | — | — | |
| SCHEMBL3911420 | 0.95 | — | — | |
| SCHEMBL3915367 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL4374406 | 0.91 | — | — | |
| Methane SCHEMBL28252872 | 0.87 | ALDH1A1 (0.39) | — | |
| Methylene Chloride SCHEMBL10762580 | 0.84 | ALDH1A1 (0.50) | — | |
| Trimethylammonium SCHEMBL6209066 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL27780617 | 0.80 | — | — | |
| Phosphoric Acid SCHEMBL3854803 | 0.78 | CA2 (0.35) | — | |
| Acetic Acid SCHEMBL10919694 | 0.78 | FFAR3 (0.47) | — |
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-2855623-A1 | SURFACTANT COMPOSITION | Rhodia Operations (FR) | 2015-04-08 | — | — | EP | disclosed |
| WO-2013174823-A1 | SURFACTANT COMPOSITION | RHODIA OPERATIONS (FR) | 2013-11-28 | — | — | WO | disclosed |