⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14992814 | 0.65 | CDC25A (0.35) | — | |
| SCHEMBL15020368 | 0.60 | DUSP3 (0.31) | — | |
| SCHEMBL9999338 | 0.58 | — | — | |
| SCHEMBL3656324 | 0.58 | — | — | |
| SCHEMBL13581429 | 0.57 | — | — | |
| SCHEMBL12629755 | 0.57 | — | — | |
| SCHEMBL2750504 | 0.56 | — | — | |
| SCHEMBL11542538 | 0.56 | — | — | |
| SCHEMBL12033685 | 0.55 | — | — | |
| Water SCHEMBL7649281 | 0.54 | TYR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012019998-A1 | PRODUCTION OF N'-(4-{[3-(4-CHLORBENZYL)-1,2,4-THIADIAZOL-5-YL] OXY} -2,5-DIMETHYLPHENYL)-N-ETHYL-N-METHYLIMIDOFORMAMIDE | BAYER CROPSCIENCE AG (DE) | 2012-02-16 | — | — | WO | disclosed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |