⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17341934 | 0.73 | GAA (0.30) | — | |
| SCHEMBL13185998 | 0.71 | PIK3CD (0.30) | — | |
| SCHEMBL19146226 | 0.67 | — | — | |
| SCHEMBL18931692 | 0.61 | — | — | |
| SCHEMBL12403343 | 0.61 | — | — | |
| SCHEMBL23774803 | 0.57 | — | — | |
| SCHEMBL18857213 | 0.57 | — | — | |
| SCHEMBL1651455 | 0.57 | MAPK1 (0.33) | — | |
| SCHEMBL10160264 | 0.56 | — | — | |
| SCHEMBL10226081 | 0.56 | — | — |
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-3722284-A1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2020-10-14 | — | — | EP | disclosed |