⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL34313 | 0.88 | ACHE (0.37) | — | |
| SCHEMBL34496 | 0.88 | APP (0.31) | — | |
| Sulfuric Acid SCHEMBL12544527 | 0.86 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL35022 | 0.86 | KDM4E (0.31) | — | |
| Bromide SCHEMBL34515 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL20162301 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL34898 | 0.85 | — | — | |
| Sulfuric Acid SCHEMBL12544523 | 0.85 | — | — | |
| SCHEMBL34671 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL34733 | 0.85 | FDPS (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2473277-B1 | PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION OR ACID-FUNCTIONALIZED IONIC LIQUID | UNIV DENMARK TECH DTU (DK) | 2019-07-03 | — | — | EP | disclosed |
| US-20170341067-A1 | Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid | UNIV DENMARK TECH DTU (DK) | 2017-11-30 | — | — | US | disclosed |
| EP-2473277-A1 | PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALIZED IONIC LIQUID | Technical University of Denmark (DK) | 2012-07-11 | — | — | EP | disclosed |
| US-20110065950-A1 | PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID | TECHNICAL UNIVERSITY OF DENMARK (DK) | 2011-03-17 | — | — | US | disclosed |
| WO-2011026860-A1 | PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALIZED IONIC LIQUID | TECHNICAL UNIVERISTY OF DENMARK (DK) | 2011-03-10 | — | — | WO | disclosed |