⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14678811 | 0.67 | — | — | |
| SCHEMBL3817396 | 0.65 | — | — | |
| SCHEMBL6650642 | 0.63 | — | — | |
| SCHEMBL14026153 | 0.62 | — | — | |
| SCHEMBL824206 | 0.62 | — | — | |
| SCHEMBL17082629 | 0.62 | — | — | |
| SCHEMBL13271065 | 0.62 | — | — | |
| SCHEMBL7294256 | 0.62 | — | — | |
| SCHEMBL16274543 | 0.62 | — | — | |
| SCHEMBL18587945 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008113028-A1 | COMPOSITIONS AND PROCESSES FOR THE SELECTIVE CATALYTIC OXIDATION OF ALCOHOLS | DYNAMIC FOOD INGREDIENTS CORPORATION (US) | 2008-09-18 | — | — | WO | claimed |
| US-7030279-B1 | Process for transition metal free catalytic aerobic oxidation of alcohols under mild conditions using stable free nitroxyl radicals | DEGUSSA AG (DE) | 2006-04-18 | — | — | US | claimed |