⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3593458 | 0.65 | — | — | |
| SCHEMBL4756421 | 0.64 | — | — | |
| SCHEMBL2469968 | 0.61 | — | — | |
| SCHEMBL1592569 | 0.60 | — | — | |
| SCHEMBL951466 | 0.60 | — | — | |
| SCHEMBL445469 | 0.57 | — | — | |
| SCHEMBL221351 | 0.55 | CHRNB2 (0.50) | — | |
| SCHEMBL2119174 | 0.55 | CHRNB2 (0.50) | — | |
| SCHEMBL1592804 | 0.54 | — | — | |
| SCHEMBL6635609 | 0.54 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| WO-2009001128-A1 | 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |