⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9803978 | 0.86 | — | — | |
| SCHEMBL7800090 | 0.86 | — | — | |
| SCHEMBL28008893 | 0.76 | — | — | |
| SCHEMBL1867686 | 0.75 | — | — | |
| SCHEMBL8167932 | 0.75 | — | — | |
| SCHEMBL1867688 | 0.75 | — | — | |
| SCHEMBL6908082 | 0.73 | — | — | |
| SCHEMBL9435416 | 0.73 | — | — | |
| SCHEMBL31426479 | 0.66 | — | — | |
| SCHEMBL27967820 | 0.66 | — | — |
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-1923389-A1 | 2-Isopropyl-5-methyloxepan and its use as fragrance compound | Symrise GmbH & Co. KG (DE) | 2008-05-21 | — | — | EP | disclosed |