⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8379137 | 0.74 | — | — | |
| SCHEMBL249163 | 0.70 | — | — | |
| SCHEMBL1009057 | 0.70 | — | — | |
| SCHEMBL969497 | 0.70 | — | — | |
| SCHEMBL104169 | 0.69 | — | — | |
| SCHEMBL4869475 | 0.69 | — | — | |
| SCHEMBL8901785 | 0.67 | — | — | |
| SCHEMBL25059 | 0.65 | — | — | |
| SCHEMBL965543 | 0.65 | — | — | |
| SCHEMBL969171 | 0.65 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110118172-A1 | METASTIN DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2277900-A1 | METASTIN DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-01-26 | — | — | EP | disclosed |