⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3430727 | 0.76 | — | — | |
| SCHEMBL3944987 | 0.74 | — | — | |
| SCHEMBL3947301 | 0.74 | — | — | |
| SCHEMBL2376391 | 0.74 | — | — | |
| SCHEMBL576623 | 0.73 | — | — | |
| SCHEMBL846775 | 0.73 | — | — | |
| SCHEMBL14748794 | 0.73 | — | — | |
| SCHEMBL22769627 | 0.71 | CYP3A4 (0.46) | — | |
| SCHEMBL18098766 | 0.70 | — | — | |
| SCHEMBL768947 | 0.69 | CYP19A1 (0.59) | — |
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-20040052828-A1 | Consumable product including consumable component and alpha-keto enamine derivatives | NESTEC S.A. (CH) | 2004-03-18 | — | — | US | disclosed |
| US-6592884-B2 | Food, cosmetics, drugs; cooling skin, mouth | NESTEC S.A. (CH) | 2003-07-15 | — | — | US | disclosed |
| US-20020022039-A1 | Method of using alpha-keto enamine derivatives as ingredients and products incorporating same | NESTEC S.A. (CH) | 2002-02-21 | — | — | US | disclosed |
| EP-1157617-A2 | Use of alpha-keto enamine derivatives as ingredients | Société des Produits Nestlé S.A. (CH) | 2001-11-28 | — | — | EP | disclosed |