⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1707990 | 0.92 | CHEK1 (0.31) | — | |
| SCHEMBL1707946 | 0.92 | CHEK1 (0.31) | — | |
| SCHEMBL1707937 | 0.92 | CHEK1 (0.31) | — | |
| SCHEMBL1708123 | 0.90 | — | — | |
| SCHEMBL1708087 | 0.90 | — | — | |
| SCHEMBL1708327 | 0.89 | — | — | |
| SCHEMBL1708144 | 0.89 | — | — | |
| SCHEMBL1708545 | 0.88 | SCN9A (0.31) | — | |
| SCHEMBL1708042 | 0.88 | — | — | |
| SCHEMBL1708407 | 0.87 | — | — |
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 1 patent. 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 |