⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17811841 | 1.00 | — | — | |
| SCHEMBL10789764 | 1.00 | — | — | |
| SCHEMBL6699206 | 0.86 | TDP1 (0.35) | — | |
| SCHEMBL10556866 | 0.85 | — | — | |
| SCHEMBL10789786 | 0.85 | — | — | |
| SCHEMBL10556865 | 0.85 | — | — | |
| SCHEMBL14763494 | 0.81 | EP300 (0.45) | — | |
| SCHEMBL29131352 | 0.81 | EP300 (0.45) | — | |
| SCHEMBL11687029 | 0.81 | EP300 (0.45) | — | |
| SCHEMBL4879936 | 0.81 | EP300 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0135719-B1 | ALPHA-TERTIARY NITRILES, THEIR PREPARATION AND THEIR UTILIZATION AS AROMATIC COMPOUNDS | Consortium für elektrochemische Industrie GmbH (DE) | 1987-01-28 | — | — | EP | disclosed |
| US-4625046-A | Alpha-tertiary nitriles | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1986-11-25 | — | — | US | disclosed |
| EP-0135719-A1 | Alpha-tertiary nitriles, their preparation and their utilization as aromatic compounds | Consortium für elektrochemische Industrie GmbH (DE) | 1985-04-03 | — | — | EP | disclosed |