⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6649754 | 0.73 | TP53 (0.47) | — | |
| SCHEMBL12427680 | 0.73 | TP53 (0.47) | — | |
| SCHEMBL6649752 | 0.73 | TP53 (0.47) | — | |
| SCHEMBL18168769 | 0.73 | TP53 (0.47) | — | |
| SCHEMBL22393107 | 0.73 | — | — | |
| SCHEMBL10062317 | 0.73 | TP53 (0.40) | — | |
| SCHEMBL6184243 | 0.73 | — | — | |
| SCHEMBL3490802 | 0.71 | — | — | |
| SCHEMBL6631205 | 0.71 | — | — | |
| SCHEMBL918816 | 0.71 | TP53 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080318962-A1 | Fungicides Based on Nitrogen-Containing Heterocycles | SYNGENTA CROP PROTECTION, INC. (US) | 2008-12-25 | — | — | US | disclosed |
| EP-1771423-A1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | Syngeta Participations AG (CH) | 2007-04-11 | — | — | EP | disclosed |
| WO-2005123698-A1 | FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2005-12-29 | — | — | WO | disclosed |