⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7507 | 1.00 | — | — | |
| Iodide SCHEMBL10623592 | 0.87 | — | — | |
| SCHEMBL5958359 | 0.87 | — | — | |
| SCHEMBL1259070 | 0.87 | — | — | |
| SCHEMBL2524949 | 0.87 | — | — | |
| SCHEMBL9441850 | 0.87 | — | — | |
| SCHEMBL9441830 | 0.87 | — | — | |
| SCHEMBL1878490 | 0.87 | — | — | |
| SCHEMBL8631804 | 0.87 | — | — | |
| SCHEMBL2587442 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7495134-B2 | Carbonylation method by adding secondary sterically hindered amines | EVONIK OXENO GMBH (DE) | 2009-02-24 | — | — | US | disclosed |
| US-20080188686-A1 | Carbonylation Method by Adding Secondary Sterically Hindered Amines | OXENO OLEFINCHEMIE GMBH (DE) | 2008-08-07 | — | — | US | disclosed |