⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10643692 | 0.73 | — | — | |
| SCHEMBL27677607 | 0.70 | — | — | |
| SCHEMBL371204 | 0.69 | — | — | |
| SCHEMBL8941208 | 0.67 | — | — | |
| SCHEMBL8941214 | 0.67 | — | — | |
| SCHEMBL13602392 | 0.67 | — | — | |
| SCHEMBL4784913 | 0.67 | — | — | |
| SCHEMBL8843474 | 0.65 | — | — | |
| SCHEMBL9698512 | 0.65 | — | — | |
| SCHEMBL8268686 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0428928-A2 | Substituted aminals | BAYER AG (DE) | 1991-05-29 | — | — | EP | disclosed |
| EP-0279201-A2 | Process for the preparation of 2-cyano-2-oximino-acetamide derivatives | BAYER AG (DE) | 1988-08-24 | — | — | EP | disclosed |