⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14289824 | 0.78 | — | — | |
| SCHEMBL791698 | 0.67 | — | — | |
| SCHEMBL14079694 | 0.64 | — | — | |
| SCHEMBL10188262 | 0.63 | — | — | |
| SCHEMBL10264456 | 0.63 | — | — | |
| SCHEMBL18858149 | 0.60 | — | — | |
| SCHEMBL18935968 | 0.59 | — | — | |
| SCHEMBL2736867 | 0.59 | — | — | |
| SCHEMBL3024403 | 0.55 | — | — | |
| SCHEMBL3009662 | 0.53 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751865-B2 | Dihydro-hydantoin derivatives with herbicidal activity | SYNGENTA LIMITED (GB) | 2017-09-05 | — | — | US | disclosed |
| US-9605004-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2017-03-28 | — | — | US | disclosed |
| US-20160318906-A1 | DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY | SYNGENTA LIMITED (GB) | 2016-11-03 | — | — | US | disclosed |
| US-20160168126-A1 | CHEMICAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2016-06-16 | — | — | US | disclosed |
| US-20160159819-A1 | CHEMICAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2016-06-09 | — | — | US | disclosed |
| EP-1889846-A1 | Purine derivatives as A2a agonists | Novartis AG (CH) | 2008-02-20 | — | — | EP | disclosed |