⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7745208 | 0.96 | — | — | |
| SCHEMBL3079073 | 0.76 | CDK5 (0.30) | — | |
| SCHEMBL1584140 | 0.74 | — | — | |
| SCHEMBL18535098 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL14941077 | 0.71 | — | — | |
| SCHEMBL1477606 | 0.71 | — | — | |
| SCHEMBL77701 | 0.71 | — | — | |
| Water SCHEMBL28703650 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4640199 | 0.69 | — | — | |
| SCHEMBL18358925 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1035772-A4 | FUNGICIDAL COMPOSITIONS AND METHODS, AND COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF | DOW AGROSCIENCES LLC (US) | 2001-03-28 | — | — | EP | disclosed |
| EP-1035772-A1 | FUNGICIDAL COMPOSITIONS AND METHODS, AND COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF | Dow AgroSciences LLC (US) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999027783-A1 | FUNGICIDAL COMPOSITIONS AND METHODS, AND COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF | DOW AGROSCIENCES LLC (US) | 1999-06-10 | — | — | WO | disclosed |