⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9933917 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL3230336 | 0.65 | BCHE (0.43) | — | |
| SCHEMBL798272 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL27337608 | 0.59 | HDAC1 (0.42) | — | |
| SCHEMBL30079680 | 0.54 | KIF11 (0.35) | — | |
| SCHEMBL15006471 | 0.53 | SIRT3 (0.41) | — | |
| SCHEMBL1431302 | 0.53 | BCAT2 (0.52) | — | |
| SCHEMBL513746 | 0.53 | EPHX2 (0.43) | — | |
| SCHEMBL23094479 | 0.52 | CDC25B (0.36) | — | |
| SCHEMBL9427537 | 0.52 | MMP2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7947692-B2 | Substituted thiazolo[5,4-d]pyrimidine urea derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-05-24 | — | — | US | disclosed |