⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4945135 | 0.73 | CYP3A4 (0.39) | — | |
| SCHEMBL15127518 | 0.71 | — | — | |
| SCHEMBL6003789 | 0.70 | — | — | |
| SCHEMBL3197752 | 0.70 | — | — | |
| SCHEMBL8682859 | 0.62 | KDM4E (0.46) | — | |
| SCHEMBL12404372 | 0.60 | — | — | |
| SCHEMBL9863966 | 0.60 | HKDC1 (0.48) | — | |
| SCHEMBL9731687 | 0.58 | ALDH1A1 (0.39) | — | |
| SCHEMBL3420496 | 0.57 | MAPT (0.58) | — | |
| SCHEMBL4922350 | 0.55 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9611248-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2017-04-04 | — | — | US | disclosed |
| US-9611248-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2017-04-04 | — | — | US | disclosed |
| US-9611248-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2017-04-04 | — | — | US | disclosed |
| EP-3030558-A1 | PYRROLONE DERIVATIVES AS HERBICIDES | Syngenta Participations AG (CH) | 2016-06-15 | — | — | EP | disclosed |
| US-20160159767-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | US | disclosed |
| US-20160159767-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | US | disclosed |
| US-20160159767-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | US | disclosed |
| WO-2015018432-A1 | PYRROLONE DERIVATIVES AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-02-12 | — | — | WO | disclosed |
| WO-2015018432-A1 | PYRROLONE DERIVATIVES AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-02-12 | — | — | WO | disclosed |