⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15821145 | 0.73 | — | — | |
| SCHEMBL7107900 | 0.71 | — | — | |
| SCHEMBL11851536 | 0.69 | HIF1A (0.32) | — | |
| SCHEMBL4643403 | 0.69 | — | — | |
| SCHEMBL11443620 | 0.69 | — | — | |
| SCHEMBL4644140 | 0.69 | — | — | |
| SCHEMBL126796 | 0.67 | — | — | |
| SCHEMBL31621553 | 0.65 | ACE (0.45) | — | |
| SCHEMBL12818166 | 0.65 | — | — | |
| SCHEMBL19615627 | 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-0591763-B1 | Use of thioalkanediones as flavouring agents | HAARMANN & REIMER GMBH (DE) | 1998-07-29 | — | — | EP | claimed |