⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL577002 | 0.71 | — | — | |
| SCHEMBL2338091 | 0.71 | — | — | |
| Silver SCHEMBL31308823 | 0.67 | — | — | |
| SCHEMBL4372680 | 0.67 | — | — | |
| SCHEMBL10912154 | 0.67 | — | — | |
| SCHEMBL22713137 | 0.67 | — | — | |
| SCHEMBL10908927 | 0.67 | — | — | |
| Lithium SCHEMBL30943486 | 0.67 | — | — | |
| SCHEMBL922 | 0.59 | — | — | |
| SCHEMBL82188 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5254693-A | Fungicidal substituted acrylic esters | BAYER AKTIENGESELLSCHAFT (DE) | 1993-10-19 | — | — | US | disclosed |