⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20060263 | 0.83 | CA1 (0.31) | — | |
| SCHEMBL16269256 | 0.79 | PPOX (0.30) | — | |
| SCHEMBL16271897 | 0.76 | PPOX (0.30) | — | |
| SCHEMBL16269548 | 0.75 | — | — | |
| SCHEMBL16562364 | 0.75 | PPOX (0.30) | — | |
| SCHEMBL16271862 | 0.74 | TLR9 (0.31) | — | |
| SCHEMBL19825432 | 0.74 | TLR9 (0.31) | — | |
| SCHEMBL16271870 | 0.74 | PPOX (0.32) | — | |
| SCHEMBL20060233 | 0.74 | — | — | |
| SCHEMBL21985648 | 0.74 | HTR2A (0.33) | — |
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-3004052-B1 | HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF | SYNGENTA LTD (GB) | 2018-04-18 | — | — | EP | disclosed |