⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2125687 | 0.78 | — | — | |
| SCHEMBL706567 | 0.75 | — | — | |
| SCHEMBL704489 | 0.75 | — | — | |
| SCHEMBL7758296 | 0.73 | — | — | |
| SCHEMBL4276960 | 0.73 | — | — | |
| SCHEMBL704644 | 0.71 | — | — | |
| SCHEMBL706582 | 0.71 | — | — | |
| SCHEMBL10456904 | 0.71 | — | — | |
| SCHEMBL3913735 | 0.71 | — | — | |
| SCHEMBL309666 | 0.71 | ALDH1A1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020099118-A1 | For use in tires, shoe soles | WITCO CORPORATION, A CORPORATION OF THE STATE OF DELAWARE | 2002-07-25 | — | — | US | claimed |
| 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 |
| EP-1341843-A2 | MINERAL-FILLED ELASTOMER COMPOSITIONS | Crompton Corporation (US) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002048256-A2 | MINERAL-FILLED ELASTOMER COMPOSITIONS | CROMPTON CORPORATION (US) | 2002-06-20 | — | — | WO | disclosed |