⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12873298 | 0.86 | NPC1 (0.35) | — | |
| SCHEMBL11963699 | 0.77 | APEX1 (0.34) | — | |
| SCHEMBL1160624 | 0.77 | APEX1 (0.34) | — | |
| SCHEMBL11963687 | 0.75 | APP (0.32) | — | |
| SCHEMBL11963682 | 0.75 | APP (0.32) | — | |
| SCHEMBL427490 | 0.70 | — | — | |
| SCHEMBL12873314 | 0.63 | — | — | |
| SCHEMBL12873313 | 0.61 | APEX1 (0.31) | — | |
| SCHEMBL11963688 | 0.59 | MAPT (0.40) | — | |
| SCHEMBL1160434 | 0.58 | CRHR1 (0.35) | — |
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 |