⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1707831 | 0.89 | NPC1 (0.34) | — | |
| SCHEMBL1707798 | 0.85 | — | — | |
| SCHEMBL1708211 | 0.82 | FFAR1 (0.35) | — | |
| SCHEMBL10010677 | 0.81 | PPARG (0.35) | — | |
| SCHEMBL10011672 | 0.81 | PPARG (0.35) | — | |
| SCHEMBL10010671 | 0.81 | PPARG (0.35) | — | |
| SCHEMBL10011668 | 0.81 | PPARG (0.35) | — | |
| SCHEMBL1707958 | 0.80 | NPC1 (0.33) | — | |
| SCHEMBL1708646 | 0.77 | — | — | |
| SCHEMBL1707937 | 0.76 | CHEK1 (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 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 |