⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL235157 | 0.67 | MAOA (0.30) | — | |
| SCHEMBL9558214 | 0.59 | — | — | |
| SCHEMBL216859 | 0.55 | — | — | |
| SCHEMBL6835524 | 0.55 | — | — | |
| SCHEMBL3849595 | 0.55 | — | — | |
| SCHEMBL27258843 | 0.51 | — | — | |
| SCHEMBL16819720 | 0.50 | — | — | |
| SCHEMBL16650001 | 0.50 | — | — | |
| SCHEMBL9518646 | 0.50 | — | — | |
| SCHEMBL27260016 | 0.50 | — | — |
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-0302389-B1 | Alpha-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-12-22 | — | — | EP | disclosed |
| EP-0529680-A2 | Intermediates, their production and their use for preparing alpha-unsaturated amines | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| EP-0509559-A2 | Alpha-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-10-21 | — | — | EP | disclosed |
| EP-0302389-A2 | Alpha-unsaturated amines, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-08 | — | — | EP | disclosed |