⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27787238 | 0.80 | — | — | |
| SCHEMBL6323330 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL11863005 | 0.75 | — | — | |
| SCHEMBL9375286 | 0.75 | — | — | |
| SCHEMBL7524425 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL7522348 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL8723976 | 0.72 | — | — | |
| SCHEMBL7936994 | 0.72 | HSD17B10 (0.42) | — | |
| SCHEMBL9857525 | 0.71 | — | — | |
| SCHEMBL11859953 | 0.70 | — | — |
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-2012085501-A1 | 8 - SULFO - IMIDAZOTETRAZIN- 4 - ONE COMPOUNDS AND THEIR USE AS ANTICANCER DRUG | PHARMINOX LIMITED (GB) | 2012-06-28 | — | — | WO | disclosed |