⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL943246 | 0.67 | — | — | |
| SCHEMBL18339268 | 0.67 | — | — | |
| SCHEMBL8555767 | 0.64 | — | — | |
| SCHEMBL18204973 | 0.60 | — | — | |
| SCHEMBL28191658 | 0.60 | POLB (0.30) | — | |
| SCHEMBL28967695 | 0.58 | — | — | |
| SCHEMBL28967694 | 0.58 | — | — | |
| SCHEMBL8482293 | 0.58 | — | — | |
| SCHEMBL10193198 | 0.57 | — | — | |
| SCHEMBL11640096 | 0.56 | FFAR3 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0591763-B1 | Use of thioalkanediones as flavouring agents | HAARMANN & REIMER GMBH (DE) | 1998-07-29 | — | — | EP | disclosed |
| US-5466827-A | IMPARTING A MEATY AROMA TO A FOOD | HAARMANN & REIMER GMBH (DE) | 1995-11-14 | — | — | US | disclosed |
| EP-0591763-A1 | Use of thioalkanediones as flavouring agents | HAARMANN & REIMER GMBH (DE) | 1994-04-13 | — | — | EP | disclosed |