⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22317603 | 0.89 | — | — | |
| SCHEMBL11092691 | 0.88 | — | — | |
| SCHEMBL11085785 | 0.82 | — | — | |
| SCHEMBL11093244 | 0.82 | — | — | |
| SCHEMBL226713 | 0.77 | — | — | |
| SCHEMBL3885291 | 0.76 | — | — | |
| SCHEMBL21038287 | 0.76 | — | — | |
| SCHEMBL11190605 | 0.76 | — | — | |
| SCHEMBL4583774 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL11190193 | 0.69 | CYP1A2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4372880-A | COSMETICS; CLEANING COMPOUNDS; TEXTILES; SOFTENERS; ANTISEPTICS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1983-02-08 | — | — | US | claimed |
| 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 |
| US-4372880-A | COSMETICS; CLEANING COMPOUNDS; TEXTILES; SOFTENERS; ANTISEPTICS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1983-02-08 | — | — | US | 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 |