⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19102463 | 0.88 | NPC1 (0.35) | — | |
| SCHEMBL18489056 | 0.84 | MAPT (0.39) | — | |
| SCHEMBL20852892 | 0.73 | CYP3A4 (0.41) | — | |
| SCHEMBL19262983 | 0.70 | MAPT (0.44) | — | |
| SCHEMBL24023635 | 0.69 | TYR (0.34) | — | |
| SCHEMBL19102522 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL24023641 | 0.62 | CYP2C9 (0.37) | — | |
| SCHEMBL20886560 | 0.62 | MAPK1 (0.37) | — | |
| SCHEMBL11548788 | 0.60 | MAPK1 (0.39) | — | |
| SCHEMBL11538890 | 0.60 | MAPK1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11787786-B2 | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2023-10-17 | — | — | US | disclosed |
| US-20220220097-A1 | FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2022-07-14 | — | — | US | disclosed |