⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6751726 | 0.85 | LSS (0.46) | — | |
| SCHEMBL6151557 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL13380891 | 0.83 | — | — | |
| SCHEMBL293806 | 0.80 | — | — | |
| SCHEMBL10958248 | 0.80 | — | — | |
| SCHEMBL10958254 | 0.80 | — | — | |
| SCHEMBL13380892 | 0.78 | — | — | |
| SCHEMBL6553353 | 0.76 | HCAR2 (0.35) | — | |
| SCHEMBL2301866 | 0.74 | CES2 (0.31) | — | |
| SCHEMBL12879603 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100081693-A1 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-01 | — | — | US | disclosed |
| US-20100081693-A1 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-01 | — | — | US | disclosed |