⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13058496 | 0.85 | PTGDR2 (0.35) | — | |
| SCHEMBL13058433 | 0.81 | GLA (0.37) | — | |
| SCHEMBL13041515 | 0.78 | ADAMTS5 (0.31) | — | |
| SCHEMBL3252041 | 0.77 | HRH3 (0.39) | — | |
| SCHEMBL13058481 | 0.77 | HRH3 (0.39) | — | |
| SCHEMBL13058547 | 0.75 | DCK (0.33) | — | |
| SCHEMBL13058535 | 0.73 | KDM4E (0.39) | — | |
| SCHEMBL13058529 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL13058539 | 0.71 | CRHR1 (0.31) | — | |
| SCHEMBL13058493 | 0.70 | KDM4E (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188294-B1 | TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES | SYNGENTA LTD (GB) | 2015-03-18 | — | — | EP | disclosed |
| US-8530667-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2013-09-10 | — | — | US | disclosed |
| US-8530667-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2013-09-10 | — | — | US | disclosed |
| US-20100298140-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2010-11-25 | — | — | US | disclosed |
| US-20100298140-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2010-11-25 | — | — | US | disclosed |