⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1273861 | 1.00 | ALDH1A1 (0.59) | — | |
| SCHEMBL6861838 | 1.00 | ALDH1A1 (0.59) | — | |
| SCHEMBL1246392 | 1.00 | ALDH1A1 (0.59) | — | |
| SCHEMBL5615699 | 1.00 | ALDH1A1 (0.59) | — | |
| SCHEMBL505895 | 0.97 | — | — | |
| SCHEMBL4880978 | 0.88 | — | — | |
| SCHEMBL2887420 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL1117388 | 0.74 | ALDH1A1 (1.00) | — | |
| SCHEMBL1117329 | 0.74 | ALDH1A1 (1.00) | — | |
| SCHEMBL30906963 | 0.74 | ALDH1A1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2334767-A1 | FATTY ESTER COMPOSITIONS WITH IMPROVED OXIDATIVE STABILITY | Taminco (BE) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010023277-A1 | FATTY ESTER COMPOSITIONS WITH IMPROVED OXIDATIVE STABILITY | TAMINCO (BE) | 2010-03-04 | — | — | WO | disclosed |
| WO-2007078452-A2 | FATTY ESTER COMPOSITIONS WITH IMPROVED OXIDATIVE STABILITY | ARKEMA FRANCE (FR) | 2007-07-12 | — | — | WO | disclosed |