⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5864557 | 0.81 | — | — | |
| SCHEMBL16863706 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL2731840 | 0.75 | — | — | |
| SCHEMBL3927845 | 0.71 | — | — | |
| SCHEMBL2733279 | 0.69 | GAA (0.50) | — | |
| SCHEMBL2732647 | 0.67 | — | — | |
| SCHEMBL50095 | 0.65 | — | — | |
| SCHEMBL11173737 | 0.64 | — | — | |
| SCHEMBL15071284 | 0.61 | — | — | |
| SCHEMBL7933470 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6995291-B2 | Process for the oxidation of unsaturated alcohols | FIRMENICH SA (CH) | 2006-02-07 | — | — | US | disclosed |
| EP-1472207-A1 | A PROCESS FOR THE OXIDATION OF UNSATURATED ALCOHOLS | Firmenich SA (CH) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003064362-A1 | A PROCESS FOR THE OXIDATION OF UNSATURATED ALCOHOLS | FIRMENICH SA (CH) | 2003-08-07 | — | — | WO | disclosed |