⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21508067 | 1.00 | — | — | |
| SCHEMBL10873011 | 0.75 | TRPA1 (0.44) | — | |
| SCHEMBL11565919 | 0.73 | — | — | |
| SCHEMBL12817745 | 0.73 | — | — | |
| SCHEMBL21219838 | 0.71 | — | — | |
| SCHEMBL22461448 | 0.71 | — | — | |
| SCHEMBL19817567 | 0.70 | — | — | |
| SCHEMBL399344 | 0.69 | — | — | |
| SCHEMBL399343 | 0.69 | — | — | |
| SCHEMBL15741515 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10982071-B2 | Sulfonic acid esters as regulators in radical polymerization reactions | IVOCLAR VIVADENT AG (LI) | 2021-04-20 | — | — | US | disclosed |
| US-10736820-B2 | Materials which can be cured by chain transfer polymerization | IVOCLAR VIVADENT AG (LI) | 2020-08-11 | — | — | US | disclosed |
| EP-3292157-B1 | SULFONIC ACID ESTER AS REGULATOR IN RADICAL POLYMERIZATION REACTIONS | IVOCLAR VIVADENT AG (LI) | 2019-04-24 | — | — | EP | disclosed |
| US-20180142082-A1 | SULFONIC ACID ESTERS AS REGULATORS IN RADICAL POLYMERIZATION REACTIONS | IVOCLAR VIVADENT AG (LI) | 2018-05-24 | — | — | US | disclosed |
| EP-2028253-B1 | Optically isotropic liquid crystal medium and optical device | JNC CORP (JP) | 2011-08-03 | — | — | EP | disclosed |