⚠ 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL30777913 | 1.00 | — | — | |
| Ethyne SCHEMBL27961050 | 0.82 | — | — | |
| Ethyne SCHEMBL6272096 | 0.82 | — | — | |
| Ethyne SCHEMBL144006 | 0.82 | — | — | |
| Ethyne SCHEMBL428 | 0.82 | — | — | |
| Ethyne SCHEMBL4753041 | 0.82 | — | — | |
| Ethyne SCHEMBL3694283 | 0.67 | — | — | |
| Ethyne SCHEMBL98802 | 0.67 | — | — | |
| Ethyne SCHEMBL8634307 | 0.67 | — | — | |
| Ethyne SCHEMBL2432764 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8674125-B2 | Method for the preparation of phosphine butadiene ligands, complexes thereof with copper and use thereof in catalysis | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2014-03-18 | — | — | US | disclosed |
| US-8604201-B2 | Use of cyclovinyl phosphine/copper complexes as arylation catalysts | CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2013-12-10 | — | — | US | disclosed |
| US-20130165667-A1 | METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2013-06-27 | — | — | US | disclosed |
| US-20100298569-A1 | USE OF CYCLOVINYL PHOSPHINE/COPPER COMPLEXES AS ARYLATION CATALYSTS | CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2010-11-25 | — | — | US | disclosed |
| US-20100121076-A1 | METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2010-05-13 | — | — | US | disclosed |