⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9800281 | 0.82 | — | — | |
| SCHEMBL1262455 | 0.82 | — | — | |
| SCHEMBL28066058 | 0.82 | — | — | |
| SCHEMBL28283493 | 0.80 | HSD17B10 (0.31) | — | |
| SCHEMBL9975648 | 0.78 | — | — | |
| SCHEMBL15656856 | 0.77 | — | — | |
| SCHEMBL5068630 | 0.75 | — | — | |
| SCHEMBL2764900 | 0.75 | — | — | |
| SCHEMBL5069815 | 0.75 | — | — | |
| SCHEMBL10869939 | 0.73 | TSHR (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |