⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12873283 | 0.81 | — | — | |
| SCHEMBL1160556 | 0.74 | PRKDC (0.36) | — | |
| SCHEMBL11963671 | 0.72 | — | — | |
| SCHEMBL2040835 | 0.66 | — | — | |
| SCHEMBL1653190 | 0.66 | — | — | |
| SCHEMBL11900424 | 0.64 | RAB9A (0.34) | — | |
| SCHEMBL12239201 | 0.64 | OPRL1 (0.34) | — | |
| SCHEMBL1654858 | 0.64 | — | — | |
| SCHEMBL12239249 | 0.64 | — | — | |
| SCHEMBL12239269 | 0.64 | HDAC1 (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 |