⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL321365 | 0.80 | — | — | |
| SCHEMBL1931320 | 0.78 | — | — | |
| SCHEMBL919191 | 0.78 | — | — | |
| SCHEMBL9731765 | 0.77 | — | — | |
| SCHEMBL4522847 | 0.74 | — | — | |
| SCHEMBL248845 | 0.74 | — | — | |
| SCHEMBL14776814 | 0.74 | — | — | |
| SCHEMBL9556084 | 0.70 | — | — | |
| SCHEMBL209994 | 0.70 | — | — | |
| SCHEMBL9556085 | 0.70 | — | — |
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-20090137580-A1 | Fused Heterocyclic Derivatives and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-1904498-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007004749-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-11 | — | — | WO | disclosed |