⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL936215 | 1.00 | — | — | |
| SCHEMBL11269049 | 1.00 | — | — | |
| SCHEMBL6750939 | 1.00 | — | — | |
| SCHEMBL14759905 | 0.96 | — | — | |
| SCHEMBL2015326 | 0.87 | — | — | |
| SCHEMBL8763394 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL19971177 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL1003911 | 0.82 | — | — | |
| SCHEMBL1812050 | 0.82 | — | — | |
| SCHEMBL31017583 | 0.82 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4319030-A | Alkylated diaza-spirodecanes | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |