⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11040042 | 1.00 | — | — | |
| SCHEMBL15185680 | 0.79 | — | — | |
| SCHEMBL24445296 | 0.74 | — | — | |
| SCHEMBL11998069 | 0.74 | TRPA1 (0.32) | — | |
| SCHEMBL14503879 | 0.71 | GPR84 (0.43) | — | |
| SCHEMBL11655065 | 0.71 | — | — | |
| SCHEMBL11655062 | 0.71 | — | — | |
| SCHEMBL28993814 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL16556896 | 0.70 | — | — | |
| SCHEMBL2545650 | 0.69 | GRIK1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024532-B2 | TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES | BASF Aktiengesellschaft (DE) | 1984-08-15 | — | — | EP | disclosed |
| US-4418216-A | Bis-tert.-butoxypentanals and bis-tert.-butoxypentanols | BASF AKTIENGESELLSCHAFT (DE) | 1983-11-29 | — | — | US | disclosed |
| US-4409402-A | FRAGRANCES; CHEMICAL INTERMEDIATES | BASF AKTIENGESELLSCHAFT (DE) | 1983-10-11 | — | — | US | disclosed |
| EP-0024532-B1 | TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES | BASF Aktiengesellschaft (DE) | 1982-06-23 | — | — | EP | disclosed |
| EP-0024532-A1 | Tert. butoxybutanales and butanoles and bis-tert. butoxy-pentanales and pentanoles, their production and their use as perfumes | BASF Aktiengesellschaft (DE) | 1981-03-11 | — | — | EP | disclosed |