⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11045613 | 1.00 | — | — | |
| SCHEMBL3642195 | 0.88 | POLB (0.33) | — | |
| SCHEMBL5374584 | 0.82 | POLB (0.30) | — | |
| SCHEMBL11635818 | 0.81 | GRIN2D (0.36) | — | |
| SCHEMBL14498537 | 0.81 | GRIN2D (0.36) | — | |
| SCHEMBL11310045 | 0.80 | — | — | |
| SCHEMBL11310043 | 0.80 | — | — | |
| SCHEMBL5257926 | 0.79 | GRIN2D (0.31) | — | |
| SCHEMBL28134835 | 0.75 | CPT1A (0.40) | — | |
| SCHEMBL2048213 | 0.75 | — | — |
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-0038471-B1 | BETA-GAMMA-UNSATURATED KETONES AND ISOPRENOIC DIENONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFUME COMPOUNDS AND FLAVOURINGS | Consortium für elektrochemische Industrie GmbH (DE) | 1984-11-14 | — | — | EP | disclosed |
| US-4385185-A | β-γ-Unsaturated ketones and isoprenoid 2,6 diones, a process for producing the same and their use as fragrant and flavoring substances | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1983-05-24 | — | — | US | disclosed |