⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20858697 | 0.72 | KDM1A (0.31) | — | |
| SCHEMBL283961 | 0.72 | KDM1A (0.31) | — | |
| SCHEMBL284622 | 0.70 | — | — | |
| SCHEMBL8718836 | 0.68 | — | — | |
| SCHEMBL9801020 | 0.68 | — | — | |
| SCHEMBL4454825 | 0.67 | — | — | |
| SCHEMBL20795887 | 0.67 | — | — | |
| SCHEMBL28265113 | 0.67 | — | — | |
| SCHEMBL150344 | 0.67 | — | — | |
| SCHEMBL6064206 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100352799-C | Process for the preparation of tertiary amines from primary amines and nitriles | DU PONT (CH) | 2007-12-05 | — | — | CN | disclosed |
| CN-1639108-A | Process for the preparation of tertiary amines from primary amines and nitriles | DU PONT (US) | 2005-07-13 | — | — | CN | disclosed |