⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12672275 | 1.00 | — | — | |
| SCHEMBL11121450 | 1.00 | — | — | |
| SCHEMBL10328404 | 1.00 | — | — | |
| SCHEMBL10153895 | 1.00 | — | — | |
| SCHEMBL14214251 | 1.00 | — | — | |
| SCHEMBL14140422 | 1.00 | — | — | |
| SCHEMBL866813 | 1.00 | — | — | |
| SCHEMBL14140420 | 1.00 | — | — | |
| SCHEMBL19254041 | 1.00 | — | — | |
| SCHEMBL1315520 | 0.96 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3444031-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2019-02-20 | — | — | EP | disclosed |
| WO-2017177979-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE | 中国科学院上海有机化学研究所 | 2017-10-19 | — | — | WO | disclosed |