⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12879603 | 0.85 | — | — | |
| SCHEMBL983043 | 0.84 | LSS (0.47) | — | |
| SCHEMBL293806 | 0.82 | — | — | |
| SCHEMBL2123606 | 0.81 | ALDH1A1 (0.53) | — | |
| SCHEMBL13380893 | 0.78 | — | — | |
| SCHEMBL13380891 | 0.75 | — | — | |
| SCHEMBL21518302 | 0.75 | LSS (0.44) | — | |
| SCHEMBL21518312 | 0.75 | LSS (0.44) | — | |
| SCHEMBL6553353 | 0.73 | HCAR2 (0.35) | — | |
| SCHEMBL9119252 | 0.72 | — | — |
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-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 |
| WO-2008032858-A2 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-03-20 | — | — | WO | disclosed |