⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4090916 | 0.86 | ADRB2 (0.38) | — | |
| SCHEMBL4079096 | 0.79 | — | — | |
| SCHEMBL705229 | 0.77 | — | — | |
| SCHEMBL703925 | 0.77 | — | — | |
| SCHEMBL1608023 | 0.77 | — | — | |
| SCHEMBL669099 | 0.77 | — | — | |
| SCHEMBL1596137 | 0.74 | — | — | |
| SCHEMBL4168328 | 0.74 | — | — | |
| SCHEMBL22661023 | 0.74 | — | — | |
| SCHEMBL238291 | 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-20090198028-A1 | 1,2-dithiol-3-thiones as chain-transfer agents in free-radical polymerization reactions | BASF SE (DE) | 2009-08-06 | — | — | US | disclosed |
| 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 |