⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1708586 | 0.87 | — | — | |
| SCHEMBL1708004 | 0.86 | KCNK3 (0.31) | — | |
| SCHEMBL1708509 | 0.85 | — | — | |
| SCHEMBL1707934 | 0.85 | NPC1 (0.37) | — | |
| SCHEMBL1707972 | 0.84 | — | — | |
| SCHEMBL1708321 | 0.82 | BRD4 (0.31) | — | |
| SCHEMBL1708342 | 0.78 | NPC1 (0.35) | — | |
| SCHEMBL1708500 | 0.78 | P2RX7 (0.32) | — | |
| SCHEMBL1708436 | 0.78 | P2RX7 (0.30) | — | |
| SCHEMBL1708581 | 0.76 | POLB (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440541-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010143733-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |