⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2403021 | 0.72 | — | — | |
| SCHEMBL11208490 | 0.69 | — | — | |
| SCHEMBL6325933 | 0.69 | — | — | |
| SCHEMBL2562995 | 0.69 | — | — | |
| SCHEMBL9070609 | 0.67 | — | — | |
| SCHEMBL3313561 | 0.67 | — | — | |
| SCHEMBL1834106 | 0.67 | — | — | |
| SCHEMBL22710953 | 0.67 | — | — | |
| SCHEMBL10933254 | 0.67 | — | — | |
| SCHEMBL17373977 | 0.67 | — | — |
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-0046710-B1 | PREPARATION OF AMINOACETONITRILE DERIVATIVES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-06-13 | — | — | EP | disclosed |
| EP-0046710-A1 | Preparation of aminoacetonitrile derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-03-03 | — | — | EP | disclosed |