⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1479711 | 1.00 | — | — | |
| Bicarbonate SCHEMBL4950236 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL23710692 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL10930795 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL2083857 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL26456569 | 0.73 | — | — | |
| SCHEMBL6674331 | 0.73 | — | — | |
| SCHEMBL6697335 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL6697332 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL6701890 | 0.70 | ALDH1A1 (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9433895-B2 | Reversible room-temperature ionic liquids | GEORGETOWN UNIVERSITY (US) | 2016-09-06 | — | — | US | disclosed |
| US-20140120013-A1 | Reversible Room-Temperature Ionic Liquids | GEORGETOWN UNIVERSITY (US) | 2014-05-01 | — | — | US | disclosed |
| US-8574453-B2 | Reversible room-temperature ionic liquids | GEORGETOWN UNIVERSITY (US) | 2013-11-05 | — | — | US | disclosed |
| US-20130087072-A1 | Reversibly Switchable Surfactants and Methods of Use Thereof | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2013-04-11 | — | — | US | disclosed |
| US-8283385-B2 | Emulsion polymerization; oil industry | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2012-10-09 | — | — | US | disclosed |
| US-20110076214-A1 | Reversible Room-Temperature Ionic Liquids | Georgetown University Office of Technology Commercialization (US) | 2011-03-31 | — | — | US | disclosed |
| US-20080197084-A1 | Reversibly switchable surfactants and methods of use thereof | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2008-08-21 | — | — | US | disclosed |
| EP-1957434-A1 | REVERSIBLY SWITCHABLE SURFACTANTS AND METHODS OF USE THEREOF | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2008-08-20 | — | — | EP | disclosed |
| WO-2008094846-A1 | REVERSIBLE ROOM-TEMPERATURE IONIC LIQUIDS | GEORGETOWN UNIVERSITY (US) | 2008-08-07 | — | — | WO | disclosed |
| WO-2007056859-A1 | REVERSIBLY SWITCHABLE SURFACTANTS AND METHODS OF USE THEREOF | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2007-05-24 | — | — | WO | disclosed |