⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9464704 | 1.00 | — | — | |
| SCHEMBL3067267 | 0.75 | — | — | |
| SCHEMBL3067270 | 0.75 | — | — | |
| SCHEMBL3067274 | 0.75 | — | — | |
| SCHEMBL425065 | 0.74 | — | — | |
| SCHEMBL425064 | 0.74 | — | — | |
| SCHEMBL2519157 | 0.74 | — | — | |
| SCHEMBL2723133 | 0.72 | — | — | |
| SCHEMBL8412938 | 0.72 | — | — | |
| Potassium Ion SCHEMBL18640390 | 0.72 | — | — |
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-5189061-A | Fungicide | BAYER AKTIENGESELLSCHAFT (DE) | 1993-02-23 | — | — | US | claimed |
| EP-0294668-A2 | (2-cyano-2-oximinoacetyl)-amino acid derivatives | BAYER AG (DE) | 1988-12-14 | — | — | EP | claimed |
| EP-0294667-A2 | (2-cyano-2-oximinoacetyl)-amino acid derivatives | BAYER AG (DE) | 1988-12-14 | — | — | EP | claimed |