⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31296408 | 0.73 | — | — | |
| SCHEMBL12558640 | 0.72 | — | — | |
| SCHEMBL12834972 | 0.70 | — | — | |
| SCHEMBL16118077 | 0.70 | — | — | |
| SCHEMBL30476296 | 0.69 | NLRP3 (0.31) | — | |
| SCHEMBL30480266 | 0.69 | MAPT (0.31) | — | |
| SCHEMBL17255934 | 0.69 | — | — | |
| SCHEMBL19716013 | 0.66 | — | — | |
| SCHEMBL15470954 | 0.65 | — | — | |
| SCHEMBL4619683 | 0.65 | BACE1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9688604-B2 | Phosphine ligand and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds | EVONIK DEGUSSA GMBH (DE) | 2017-06-27 | — | — | US | disclosed |
| US-9688604-B2 | Phosphine ligand and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds | EVONIK DEGUSSA GMBH (DE) | 2017-06-27 | — | — | US | disclosed |
| US-20170022234-A1 | PHOSPHINE LIGAND AND PALLADIUM CATALYSTS BASED THEREON FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | EVONIK DEGUSSA GMBH (DE) | 2017-01-26 | — | — | US | disclosed |
| US-20170022234-A1 | PHOSPHINE LIGAND AND PALLADIUM CATALYSTS BASED THEREON FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | EVONIK DEGUSSA GMBH (DE) | 2017-01-26 | — | — | US | disclosed |
| EP-3121185-A2 | PHOSPHIN LIGAND AND PALLADIUM CATALYST BASED ON SAME FOR ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Evonik Degussa GmbH (DE) | 2017-01-25 | — | — | EP | disclosed |
| EP-2629765-B1 | METHODS AND COMPOSITIONS FOR TREATING POX VIRUS INFECTIONS WITH AN 1,4-NAPHTHOQUINONE AS ACTIVE AGENT | HÜGIN AMBROS (CH) | 2016-07-06 | — | — | EP | disclosed |
| US-20150045357-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2015-02-12 | — | — | US | disclosed |
| US-20130224286-A1 | METHODS AND COMPOSITIONS FOR TREATING POX VIRUS INFECTIONS | HUEGIN AMBROS (CH) | 2013-08-29 | — | — | US | disclosed |
| EP-2629765-A1 | METHODS AND COMPOSITIONS FOR TREATING POX VIRUS INFECTIONS WITH AN 1, 4 -NAPHTHOQUINONE AS ACTIVE AGENT | Hügin, Ambros (CH) | 2013-08-28 | — | — | EP | disclosed |
| WO-2012052956-A1 | METHODS AND COMPOSITIONS FOR TREATING POX VIRUS INFECTIONS WITH AN 1, 4 -NAPHTHOQUINONE AS ACTIVE AGENT | HUEGIN AMBROS (CH) | 2012-04-26 | — | — | WO | disclosed |