⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5854798 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL5854795 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL5855405 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL5854530 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL5855660 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL5854534 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL18320531 | 1.00 | — | — | |
| SCHEMBL5855398 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL5855663 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL9938691 | 0.97 | — | — |
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-2651883-A1 | PROCESS FOR PREPARING AN ORGANIC SOLUTION OF A DIALKYL PEROXYDICARBONATE | SOLVAY SA (BE) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080124-A1 | PROCESS FOR PREPARING AN ORGANIC SOLUTION OF A DIALKYL PEROXYDICARBONATE | SOLVAY SA (BE) | 2012-06-21 | — | — | WO | disclosed |