⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22817563 | 0.74 | — | — | |
| SCHEMBL22014726 | 0.74 | — | — | |
| SCHEMBL1002540 | 0.74 | — | — | |
| SCHEMBL9468764 | 0.69 | — | — | |
| SCHEMBL9468767 | 0.69 | — | — | |
| SCHEMBL25142972 | 0.67 | — | — | |
| SCHEMBL21251362 | 0.65 | — | — | |
| SCHEMBL11564778 | 0.65 | — | — | |
| SCHEMBL11564780 | 0.65 | — | — | |
| SCHEMBL19313122 | 0.65 | — | — |
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-0590419-A1 | Process for preparing unsaturated amines | BASF Aktiengesellschaft (DE) | 1994-04-06 | — | — | EP | disclosed |