⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14852910 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL290689 | 0.84 | THRA (0.32) | — | |
| SCHEMBL290098 | 0.80 | CDC7 (0.40) | — | |
| SCHEMBL290931 | 0.76 | ABL1 (0.31) | — | |
| SCHEMBL13047640 | 0.74 | ABL1 (0.30) | — | |
| SCHEMBL13048000 | 0.74 | PAX8 (0.37) | — | |
| SCHEMBL13074524 | 0.73 | HCAR2 (0.37) | — | |
| SCHEMBL290377 | 0.70 | CYP11B2 (0.35) | — | |
| SCHEMBL13047439 | 0.70 | PIK3CG (0.34) | — | |
| SCHEMBL13047437 | 0.70 | ABL1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2604268-A1 | Process for the preparation of thiazole derivatives | Dow AgroSciences LLC (US) | 2013-06-19 | — | — | EP | disclosed |