⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4151460 | 0.80 | PRKD3 (0.33) | — | |
| SCHEMBL5224972 | 0.79 | — | — | |
| SCHEMBL5224807 | 0.79 | MAP4K4 (0.32) | — | |
| SCHEMBL5224087 | 0.77 | — | — | |
| SCHEMBL15626306 | 0.76 | IDH1 (0.31) | — | |
| SCHEMBL15626296 | 0.76 | IDH1 (0.31) | — | |
| SCHEMBL15626305 | 0.76 | IDH1 (0.31) | — | |
| SCHEMBL4162350 | 0.73 | — | — | |
| SCHEMBL4715968 | 0.73 | CYP1A2 (0.34) | — | |
| SCHEMBL4162294 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575956-B1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | SYNGENTA LTD (GB) | 2007-03-28 | — | — | EP | disclosed |
| EP-1575956-B1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | SYNGENTA LTD (GB) | 2007-03-28 | — | — | EP | disclosed |
| US-20060100203-A1 | Fungicides based on nitrogen-containing heterocycles | SYNGENTA CROP PROTECTION, INC. | 2006-05-11 | — | — | US | disclosed |
| EP-1575956-A1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | Syngenta Limited (GB) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004056829-A1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | SYNGENTA LIMITED (GB) | 2004-07-08 | — | — | WO | disclosed |