⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13390210 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL19061839 | 0.71 | PARP1 (0.32) | — | |
| SCHEMBL10244159 | 0.71 | PARP1 (0.32) | — | |
| SCHEMBL19062054 | 0.71 | PARP1 (0.32) | — | |
| SCHEMBL15700142 | 0.71 | KIF11 (0.33) | — | |
| SCHEMBL15743957 | 0.70 | PIK3CA (0.38) | — | |
| SCHEMBL15743945 | 0.70 | PIK3CA (0.38) | — | |
| SCHEMBL28711264 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL19122510 | 0.70 | — | — | |
| SCHEMBL28844470 | 0.69 | KIF11 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4089865-A | Certain thiazole compounds | SYNTEX (U.S.A.) INC. (US) | 1978-05-16 | — | — | US | disclosed |
| US-4064135-A | Certain thiazole-5-carboxamide compounds | SYNTEX (U.S.A.) INC. (US) | 1977-12-20 | — | — | US | disclosed |
| US-4001421-A | THIAZOLE CARDIOVASCULAR AGENTS | SYNTEX (U.S.A.) INC. (US) | 1977-01-04 | — | — | US | disclosed |