⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3484049 | 0.91 | AHR (0.40) | — | |
| SCHEMBL3484815 | 0.79 | EGFR (0.49) | — | |
| SCHEMBL3484676 | 0.76 | AHR (0.56) | — | |
| SCHEMBL3484462 | 0.72 | TDP2 (0.45) | — | |
| SCHEMBL3484719 | 0.71 | PDE7A (0.50) | — | |
| SCHEMBL1964539 | 0.71 | CYP3A4 (0.56) | — | |
| SCHEMBL7477953 | 0.70 | — | — | |
| SCHEMBL29814288 | 0.70 | AXL (0.39) | — | |
| SCHEMBL17230362 | 0.70 | AXL (0.39) | — | |
| SCHEMBL7471911 | 0.69 | — | — |
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-20100004238-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-07 | — | — | US | disclosed |
| CN-101611041-A | Condensed heterocyclic compouds | TAKEDA PHARMACEUTICAL (JP) | 2009-12-23 | — | — | CN | disclosed |
| EP-2103620-A1 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-09-23 | — | — | EP | disclosed |