⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13358867 | 0.71 | — | — | |
| SCHEMBL2742664 | 0.62 | — | — | |
| SCHEMBL13538042 | 0.59 | — | — | |
| SCHEMBL893513 | 0.53 | — | — | |
| SCHEMBL8216255 | 0.43 | — | — | |
| SCHEMBL595900 | 0.43 | — | — | |
| SCHEMBL10019316 | 0.43 | — | — | |
| SCHEMBL8216260 | 0.43 | — | — | |
| SCHEMBL3152784 | 0.43 | — | — | |
| SCHEMBL8271429 | 0.43 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0050869-A1 | Process for the manufacture of N-tert.-alkylamines or cycloalkylamines and formic acid esters | Degussa Aktiengesellschaft (DE) | 1982-05-05 | — | — | EP | disclosed |