⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27358136 | 0.85 | — | — | |
| SCHEMBL11572911 | 0.78 | AKR1B1 (0.33) | — | |
| SCHEMBL30468514 | 0.77 | CA2 (0.33) | — | |
| SCHEMBL27377127 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL27358138 | 0.76 | — | — | |
| SCHEMBL3851809 | 0.75 | — | — | |
| SCHEMBL27523647 | 0.75 | — | — | |
| SCHEMBL31413916 | 0.74 | — | — | |
| SCHEMBL30663904 | 0.74 | HTT (0.31) | — | |
| SCHEMBL28239035 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105814040-A | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 | 癌症研究科技有限公司 | 2016-07-27 | — | — | CN | disclosed |