⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2994542 | 0.76 | — | — | |
| SCHEMBL1470968 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL2011622 | 0.75 | NR1H2 (0.35) | — | |
| SCHEMBL10443017 | 0.71 | TRPA1 (0.43) | — | |
| SCHEMBL1465904 | 0.71 | BCHE (0.37) | — | |
| SCHEMBL2011758 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL3823271 | 0.68 | NR1H2 (0.42) | — | |
| SCHEMBL3689005 | 0.67 | IDO1 (0.42) | — | |
| SCHEMBL1466062 | 0.67 | BCHE (0.34) | — | |
| SCHEMBL31019832 | 0.66 | HRH3 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106928061-B | Continuous process for the carbonylation of ethylene | 璐彩特国际英国有限公司 | 2020-08-28 | — | — | CN | claimed |
| CN-106928061-B | Continuous process for the carbonylation of ethylene | 璐彩特国际英国有限公司 | 2020-08-28 | — | — | CN | disclosed |
| CN-105153241-B | Carbonylation ligands and their use in the carbonylation of ethylenically unsaturated compounds | 卢西特国际英国有限公司 | 2020-05-15 | — | — | CN | disclosed |
| US-9382190-B2 | Continuous process for the carbonylation of ethylene | LUCITE INTERNATIONAL UK LIMITED (GB) | 2016-07-05 | — | — | US | disclosed |
| US-20150099896-A1 | CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE | LUCITE INTERNATIONAL UK LIMITED (GB) | 2015-04-09 | — | — | US | disclosed |
| US-20120309613-A1 | CARBONYLATION PROCESS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2012-12-06 | — | — | US | disclosed |
| EP-2167232-A1 | A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM | Lucite International UK Limited (GB) | 2010-03-31 | — | — | EP | disclosed |
| EP-2094635-A1 | CARBONYLATION OF CONJUGATED DIENES | Lucite International UK Limited (GB) | 2009-09-02 | — | — | EP | disclosed |
| WO-2009010782-A1 | A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM | LUCITE INTERNATIONAL UK LIMITED (GB) | 2009-01-22 | — | — | WO | disclosed |
| WO-2008075108-A1 | CARBONYLATION OF CONJUGATED DIENES | LUCITE INTERNATIONAL UK LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |