⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12873442 | 0.95 | — | — | |
| SCHEMBL17689737 | 0.77 | — | — | |
| SCHEMBL1160598 | 0.76 | MCHR1 (0.35) | — | |
| SCHEMBL11963692 | 0.74 | DRD4 (0.32) | — | |
| SCHEMBL1159680 | 0.71 | PRKDC (0.36) | — | |
| SCHEMBL11963678 | 0.69 | AXL (0.31) | — | |
| SCHEMBL12239379 | 0.69 | DRD4 (0.37) | — | |
| SCHEMBL12239213 | 0.67 | PIK3CA (0.34) | — | |
| SCHEMBL12239377 | 0.65 | OPRL1 (0.33) | — | |
| SCHEMBL12239367 | 0.65 | PIK3CA (0.37) | — |
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 |