⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16237641 | 0.80 | — | — | |
| SCHEMBL16245951 | 0.71 | — | — | |
| SCHEMBL16245774 | 0.71 | — | — | |
| SCHEMBL671575 | 0.65 | — | — | |
| SCHEMBL23815768 | 0.65 | CYP1A2 (0.33) | — | |
| SCHEMBL14530597 | 0.64 | POLB (0.36) | — | |
| SCHEMBL18643230 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL2677760 | 0.63 | MEN1 (0.31) | — | |
| SCHEMBL22535128 | 0.61 | EGFR (0.39) | — | |
| SCHEMBL13359772 | 0.61 | CYP3A4 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9936701-B2 | Herbicidal compounds | SYNGENTA LIMITED (GB) | 2018-04-10 | — | — | US | disclosed |
| EP-2993986-B1 | HERBICIDAL ISOXAZOLYL SUBSTITUTED PYRROLONE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-01-10 | — | — | EP | disclosed |
| EP-2993986-A1 | HERBICIDAL COMPOUNDS | Syngenta Participations AG (CH) | 2016-03-16 | — | — | EP | disclosed |
| US-20160066574-A1 | Herbicidal Compounds | SYNGENTA LIMITED (GB) | 2016-03-10 | — | — | US | disclosed |
| WO-2014180740-A1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2014-11-13 | — | — | WO | disclosed |