⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1002431 | 1.00 | — | — | |
| SCHEMBL16255346 | 1.00 | — | — | |
| SCHEMBL514050 | 0.92 | — | — | |
| SCHEMBL514860 | 0.92 | — | — | |
| SCHEMBL514049 | 0.92 | — | — | |
| SCHEMBL14925210 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL2564856 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL22294661 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL20847794 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL11896000 | 0.90 | TSHR (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8778219-B2 | Ionic liquids for separation of olefin-paraffin mixtures | UT-BATTELLE, LLC (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130338389-A1 | IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES | UT-BATTELLE, LLC (US) | 2013-12-19 | — | — | US | disclosed |
| US-8535560-B2 | Ionic liquids for separation of olefin-paraffin mixtures | UT-BATTELLE, LLC (US) | 2013-09-17 | — | — | US | disclosed |
| EP-2487149-A1 | METHOD FOR PRODUCING KETONE | JX Nippon Oil & Energy Corporation (JP) | 2012-08-15 | — | — | EP | disclosed |
| US-20120197036-A1 | METHOD FOR MANUFACTURING KETONE | OSAKA UNIVERSITY (JP) | 2012-08-02 | — | — | US | disclosed |
| US-20110015461-A1 | Ionic Liquids for Separation of Olefin-Paraffin Mixtures | UT-BATTELLE, LLC (US) | 2011-01-20 | — | — | US | disclosed |
| WO-2011008664-A2 | IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES | UT-BATTELLE, LLC (US) | 2011-01-20 | — | — | WO | disclosed |