⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13660054 | 0.59 | — | — | |
| SCHEMBL21949099 | 0.56 | — | — | |
| SCHEMBL17859560 | 0.55 | — | — | |
| SCHEMBL21096990 | 0.55 | — | — | |
| SCHEMBL16283953 | 0.54 | — | — | |
| SCHEMBL20751728 | 0.54 | — | — | |
| SCHEMBL16911325 | 0.48 | — | — | |
| SCHEMBL6690033 | 0.46 | — | — | |
| SCHEMBL11891519 | 0.46 | — | — | |
| SCHEMBL21296807 | 0.45 | — | — |
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-3402781-B1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |