⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11310043 | 1.00 | — | — | |
| SCHEMBL11045595 | 0.80 | — | — | |
| SCHEMBL11045613 | 0.80 | — | — | |
| SCHEMBL3642195 | 0.71 | POLB (0.33) | — | |
| SCHEMBL11040736 | 0.69 | ALOX15 (0.41) | — | |
| SCHEMBL5374584 | 0.66 | POLB (0.30) | — | |
| SCHEMBL11635818 | 0.66 | GRIN2D (0.36) | — | |
| SCHEMBL14498537 | 0.66 | GRIN2D (0.36) | — | |
| SCHEMBL11039122 | 0.65 | — | — | |
| SCHEMBL11039124 | 0.65 | — | — |
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-0038471-A1 | 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) | 1981-10-28 | — | — | EP | disclosed |