⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2322892 | 0.81 | — | — | |
| SCHEMBL2681685 | 0.81 | — | — | |
| SCHEMBL10757852 | 0.74 | — | — | |
| SCHEMBL3973907 | 0.74 | — | — | |
| SCHEMBL5643512 | 0.74 | — | — | |
| SCHEMBL12862696 | 0.72 | — | — | |
| SCHEMBL17681785 | 0.72 | — | — | |
| SCHEMBL27365834 | 0.72 | — | — | |
| SCHEMBL16235382 | 0.70 | — | — | |
| SCHEMBL17703506 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160115158-A1 | N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2016-04-28 | — | — | US | disclosed |
| EP-2643312-B1 | MICROBICIDAL HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2014-09-10 | — | — | EP | disclosed |
| US-8748432-B2 | Microbiocidal pyrazole derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-8748432-B2 | Microbiocidal pyrazole derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | 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 |
| WO-2012069633-A1 | MICROBICIDAL HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-31 | — | — | WO | disclosed |