⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13041988 | 0.89 | TDP2 (0.31) | — | |
| SCHEMBL13042099 | 0.86 | ACACB (0.36) | — | |
| SCHEMBL13042096 | 0.83 | PTGS2 (0.33) | — | |
| SCHEMBL12129248 | 0.81 | ACACB (0.38) | — | |
| SCHEMBL12129321 | 0.80 | ACACB (0.35) | — | |
| SCHEMBL13273427 | 0.80 | ACACB (0.36) | — | |
| SCHEMBL12129255 | 0.79 | SLC6A2 (0.34) | — | |
| SCHEMBL12129317 | 0.79 | ACACB (0.33) | — | |
| SCHEMBL12129247 | 0.77 | ACACB (0.41) | — | |
| SCHEMBL12101728 | 0.74 | ACACB (0.34) | — |
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-2222657-B1 | PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES | SYNGENTA LTD (GB) | 2012-09-12 | — | — | EP | disclosed |