⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL428605 | 0.71 | — | — | |
| SCHEMBL2637435 | 0.71 | — | — | |
| SCHEMBL26114664 | 0.71 | — | — | |
| SCHEMBL8021753 | 0.71 | IMPDH2 (0.39) | — | |
| SCHEMBL8616571 | 0.67 | KMT2A (0.50) | — | |
| SCHEMBL22290974 | 0.67 | — | — | |
| SCHEMBL7041388 | 0.67 | — | — | |
| SCHEMBL22606280 | 0.67 | — | — | |
| SCHEMBL14887250 | 0.67 | — | — | |
| SCHEMBL20844133 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2643312-B1 | MICROBICIDAL HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2014-09-10 | — | — | EP | disclosed |
| US-8748431-B2 | Microbicidal heterocycles | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-8748431-B2 | Microbicidal heterocycles | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-8450301-B2 | Piperazine compounds with a herbicidal action | BASF SE (DE) | 2013-05-28 | — | — | US | disclosed |
| WO-2012069633-A1 | MICROBICIDAL HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-31 | — | — | WO | disclosed |
| US-20090156553-A1 | PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION | BASF SE (DE) | 2009-06-18 | — | — | US | disclosed |