⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9692233 | 0.79 | POLA1 (0.37) | — | |
| SCHEMBL9690164 | 0.76 | POLA1 (0.44) | — | |
| SCHEMBL9691853 | 0.71 | PPM1B (0.32) | — | |
| SCHEMBL20077601 | 0.71 | — | — | |
| SCHEMBL9692186 | 0.67 | PPM1B (0.32) | — | |
| SCHEMBL9692238 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL3676016 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL9692162 | 0.63 | ABCB1 (0.35) | — | |
| SCHEMBL23779801 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL13791362 | 0.62 | TRPA1 (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7790668-B2 | 2-methoxy-2,6-dimethyloctanal and its use as a fragrance ingredient | GIVAUDAN SA (CH) | 2010-09-07 | — | — | US | disclosed |
| EP-1924544-B1 | 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT | GIVAUDAN SA (CH) | 2009-01-14 | — | — | EP | disclosed |
| US-20080261860-A1 | 2-Methoxy-2, 6-Dimethyloctanal and Its Use as a Fragrance Ingredient | GIVAUDAN SA (CH) | 2008-10-23 | — | — | US | disclosed |
| EP-1924544-A1 | 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT | Givaudan SA (CH) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007030967-A1 | 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT | GIVAUDAN SA (CH) | 2007-03-22 | — | — | WO | disclosed |
| EP-1764355-A1 | 6-methoxy-2,6-dimethyloctanal and its use as a fragrance ingredient | Givaudan S.A. (CH) | 2007-03-21 | — | — | EP | disclosed |