⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3337368 | 1.00 | — | — | |
| SCHEMBL3277565 | 0.76 | — | — | |
| SCHEMBL12048530 | 0.72 | — | — | |
| SCHEMBL17784330 | 0.69 | — | — | |
| SCHEMBL4608960 | 0.69 | — | — | |
| SCHEMBL4608962 | 0.69 | — | — | |
| SCHEMBL9482878 | 0.66 | HIF1A (0.50) | — | |
| SCHEMBL3339679 | 0.65 | — | — | |
| SCHEMBL1829036 | 0.65 | — | — | |
| SCHEMBL2208868 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8592452-B2 | Cyclic amine compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-11-26 | — | — | US | disclosed |
| US-20100152236-A1 | Cyclic amine compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-17 | — | — | US | disclosed |
| EP-1911743-A1 | CYCLIC AMINE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-04-16 | — | — | EP | disclosed |