⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13842693 | 0.75 | — | — | |
| SCHEMBL17690663 | 0.74 | — | — | |
| SCHEMBL5567766 | 0.69 | — | — | |
| SCHEMBL22212495 | 0.69 | — | — | |
| SCHEMBL22350581 | 0.69 | HRH3 (0.31) | — | |
| SCHEMBL12033846 | 0.67 | — | — | |
| SCHEMBL12835171 | 0.67 | — | — | |
| SCHEMBL477274 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL357968 | 0.64 | — | — | |
| SCHEMBL680859 | 0.63 | GRIN2D (0.43) | — |
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-3094325-B1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-10-13 | — | — | EP | disclosed |