⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26091400 | 0.84 | — | — | |
| SCHEMBL7214933 | 0.72 | — | — | |
| SCHEMBL11811775 | 0.72 | — | — | |
| SCHEMBL10783213 | 0.72 | — | — | |
| SCHEMBL20898513 | 0.70 | — | — | |
| SCHEMBL16754188 | 0.69 | — | — | |
| SCHEMBL20898702 | 0.69 | — | — | |
| SCHEMBL9274577 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL9112891 | 0.69 | — | — | |
| SCHEMBL24570907 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0491323-A2 | Process for the preparation of cyclopropanenitrile derivatives | LONZA AG (CH) | 1992-06-24 | — | — | EP | claimed |
| EP-0491323-B1 | Process for the preparation of cyclopropanenitrile derivatives | LONZA AG (CH) | 1996-03-06 | — | — | EP | disclosed |
| US-5159100-A | PROCESS FOR THE PRODUCTION OF CYCLOPROPANENITRILE DERIVATIVES | LONZA LTD. (CH) | 1992-10-27 | — | — | US | disclosed |
| EP-0491323-A2 | Process for the preparation of cyclopropanenitrile derivatives | LONZA AG (CH) | 1992-06-24 | — | — | EP | disclosed |