⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19225686 | 0.72 | — | — | |
| SCHEMBL18558971 | 0.69 | — | — | |
| SCHEMBL26556483 | 0.67 | — | — | |
| SCHEMBL23343642 | 0.66 | — | — | |
| SCHEMBL18532050 | 0.64 | — | — | |
| SCHEMBL19184906 | 0.64 | — | — | |
| SCHEMBL25968830 | 0.64 | — | — | |
| SCHEMBL27258294 | 0.62 | — | — | |
| SCHEMBL19427253 | 0.62 | — | — | |
| SCHEMBL26031628 | 0.62 | — | — |
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-11124501-B2 | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2021-09-21 | — | — | US | disclosed |