⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28377965 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL16922278 | 0.73 | — | — | |
| SCHEMBL622807 | 0.70 | — | — | |
| SCHEMBL18484866 | 0.69 | — | — | |
| SCHEMBL9063389 | 0.67 | — | — | |
| SCHEMBL19955956 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL18199912 | 0.65 | — | — | |
| SCHEMBL16078717 | 0.65 | — | — | |
| SCHEMBL10424965 | 0.65 | — | — | |
| SCHEMBL509714 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104069781-A | Preparation method of switch-type foam | UNIV JIANGNAN | 2014-10-01 | — | — | CN | disclosed |
| CN-103301782-A | Compound emulsifier with switching property | UNIV JIANGNAN | 2013-09-18 | — | — | CN | disclosed |
| EP-1957434-A1 | REVERSIBLY SWITCHABLE SURFACTANTS AND METHODS OF USE THEREOF | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007056859-A1 | REVERSIBLY SWITCHABLE SURFACTANTS AND METHODS OF USE THEREOF | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2007-05-24 | — | — | WO | disclosed |