⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18948729 | 0.77 | GAA (0.31) | — | |
| SCHEMBL18124436 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL9147136 | 0.74 | — | — | |
| SCHEMBL11578917 | 0.73 | SPHK1 (0.30) | — | |
| SCHEMBL11812004 | 0.72 | EPHX1 (0.33) | — | |
| SCHEMBL21240875 | 0.72 | EPHX1 (0.46) | — | |
| SCHEMBL10587146 | 0.71 | — | — | |
| SCHEMBL18119747 | 0.70 | MEN1 (0.39) | — | |
| SCHEMBL11092691 | 0.69 | — | — | |
| SCHEMBL1172906 | 0.69 | — | — |
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-0039029-B1 | USE OF SUBSTITUTED 2-(1-METHYLBUTYL)-1,3-DIOXANES AS PERFUMING AGENTS AND PERFUME COMPOSITIONS CONTAINING THEM | Henkel Kommanditgesellschaft auf Aktien (DE) | 1984-07-04 | — | — | EP | disclosed |
| EP-0039029-A2 | Use of substituted 2-(1-methylbutyl)-1,3-dioxanes as perfuming agents and perfume compositions containing them | Henkel Kommanditgesellschaft auf Aktien (DE) | 1981-11-04 | — | — | EP | disclosed |