⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11963673 | 0.80 | GRM5 (0.38) | — | |
| SCHEMBL1160649 | 0.70 | PDE1A (0.36) | — | |
| SCHEMBL11963683 | 0.69 | PPARA (0.34) | — | |
| SCHEMBL11963681 | 0.69 | HRH3 (0.39) | — | |
| SCHEMBL17689737 | 0.68 | — | — | |
| SCHEMBL12873442 | 0.64 | — | — | |
| SCHEMBL12239376 | 0.63 | BRD4 (0.33) | — | |
| SCHEMBL515350 | 0.63 | CSF1R (0.31) | — | |
| SCHEMBL1652645 | 0.62 | NPC1 (0.31) | — | |
| SCHEMBL1652175 | 0.62 | PARP14 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011012862-A1 | HERBICIDALLY ACTIVE HETEROARYL-SΥBSTITΥTED CYCLIC DIONES OR DERIVATIVES THEREOF | SYNGENTA LIMITED (GB) | 2011-02-03 | — | — | WO | disclosed |