⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4251418 | 1.00 | — | — | |
| SCHEMBL4251011 | 1.00 | — | — | |
| SCHEMBL6635739 | 0.83 | — | — | |
| SCHEMBL6906542 | 0.79 | — | — | |
| Bromide SCHEMBL6652493 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5461997 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9420690 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL7806119 | 0.73 | — | — | |
| SCHEMBL27285776 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL15096146 | 0.71 | LMNA (0.36) | — |
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-8202446-B2 | Ionic liquid based mixtures for gas storage and delivery | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-7776582-B2 | for gas chromatography; identifying an optically enhanced chiral ionic liquid (OCIL) for enantiomeric resolution | SIGMA-ALDRICH CO. (US) | 2010-08-17 | — | — | US | disclosed |
| US-20090272938-A1 | Ionic Liquid Based Mixtures For Gas Storage and Delivery | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2009-11-05 | — | — | US | disclosed |
| US-7563308-B2 | Ionic liquid based mixtures for gas storage and delivery | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2009-07-21 | — | — | US | disclosed |
| US-20090145197-A1 | Optically Enhanced Chiral Ionic Liquids | SIGMA-ALDRICH CO. NEWCO INC. | 2009-06-11 | — | — | US | disclosed |
| EP-1995305-A1 | Fungal biocatalysis process in a culture media containing water miscible ionic liquids | Instituto de Biologia Experimental e Tecnologia (IBET) (PT) | 2008-11-26 | — | — | EP | disclosed |
| US-7404845-B2 | Ionic liquid based mixtures for gas storage and delivery | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-07-29 | — | — | US | disclosed |
| EP-1640654-A1 | Ionic liquid based mixtures for gas storage and delivery | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2006-03-29 | — | — | EP | disclosed |
| US-20060060817-A1 | Ionic liquid based mixtures for gas storage and delivery | VERSUM MATERIALS US, LLC | 2006-03-23 | — | — | US | disclosed |
| US-20060060818-A1 | Ionic liquid based mixtures for gas storage and delivery | VERSUM MATERIALS US, LLC | 2006-03-23 | — | — | US | disclosed |