⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7989948 | 0.83 | SLC22A6 (0.44) | — | |
| SCHEMBL2025802 | 0.83 | TBXAS1 (0.47) | — | |
| SCHEMBL11120675 | 0.80 | TBXAS1 (0.50) | — | |
| SCHEMBL11125055 | 0.80 | TBXAS1 (0.50) | — | |
| SCHEMBL1249194 | 0.80 | TBXAS1 (0.50) | — | |
| SCHEMBL1860769 | 0.80 | TBXAS1 (0.50) | — | |
| SCHEMBL3125930 | 0.80 | TBXAS1 (0.50) | — | |
| SCHEMBL11122641 | 0.80 | TBXAS1 (0.50) | — | |
| SCHEMBL1865932 | 0.80 | TBXAS1 (0.50) | — | |
| SCHEMBL1863088 | 0.80 | TBXAS1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2035464-A1 | 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS | BASF SE (DE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007147857-A1 | 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS | BASF SE (DE) | 2007-12-27 | — | — | WO | disclosed |