⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6280830 | 1.00 | — | — | |
| SCHEMBL6280827 | 1.00 | — | — | |
| SCHEMBL3871086 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL8291578 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL3871084 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL23816080 | 0.75 | — | — | |
| SCHEMBL20371751 | 0.75 | — | — | |
| SCHEMBL21398076 | 0.74 | CNR2 (0.30) | — | |
| SCHEMBL3873346 | 0.74 | HDAC4 (0.34) | — | |
| SCHEMBL3873342 | 0.74 | HDAC4 (0.34) | — |
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-2005040142-A9 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMA INC (US) | 2005-06-09 | — | — | WO | disclosed |