⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5138631 | 0.90 | HIF1A (0.43) | — | |
| SCHEMBL4372693 | 0.88 | HIF1A (0.35) | — | |
| SCHEMBL6545092 | 0.87 | HIF1A (0.56) | — | |
| SCHEMBL4231425 | 0.84 | — | — | |
| SCHEMBL127719 | 0.84 | HIF1A (0.53) | — | |
| SCHEMBL431901 | 0.84 | HIF1A (0.53) | — | |
| SCHEMBL10310587 | 0.81 | HIF1A (0.50) | — | |
| SCHEMBL1016214 | 0.77 | — | — | |
| SCHEMBL3259629 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL302670 | 0.76 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0428930-A1 | Thiazolazo dye-stuffs | BASF Aktiengesellschaft (DE) | 1991-05-29 | — | — | EP | disclosed |
| EP-0390024-A1 | Azodyes with a diazo component of the aminobenzoisothiazole series | BASF Aktiengesellschaft (DE) | 1990-10-03 | — | — | EP | disclosed |