⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4138858 | 0.71 | — | — | |
| SCHEMBL7080852 | 0.69 | — | — | |
| SCHEMBL1129083 | 0.65 | — | — | |
| SCHEMBL11599283 | 0.62 | — | — | |
| SCHEMBL1360589 | 0.59 | — | — | |
| SCHEMBL22347810 | 0.59 | — | — | |
| SCHEMBL11721911 | 0.59 | — | — | |
| SCHEMBL11721920 | 0.59 | — | — | |
| SCHEMBL8726093 | 0.59 | — | — | |
| SCHEMBL8726095 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874736-A4 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2008-08-20 | — | — | EP | disclosed |
| EP-1874736-A2 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006116412-A2 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-11-02 | — | — | WO | disclosed |