⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1958154 | 0.85 | — | — | |
| SCHEMBL6941395 | 0.80 | — | — | |
| SCHEMBL13752016 | 0.78 | — | — | |
| SCHEMBL11937440 | 0.69 | — | — | |
| SCHEMBL11937438 | 0.67 | — | — | |
| SCHEMBL3458528 | 0.65 | — | — | |
| SCHEMBL3969668 | 0.61 | — | — | |
| SCHEMBL157501 | 0.58 | — | — | |
| SCHEMBL15333695 | 0.55 | — | — | |
| SCHEMBL20522916 | 0.55 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1825843-B1 | Dental material based on multicyclic allyl sulfides | IVOCLAR VIVADENT AG (LI) | 2009-06-10 | — | — | EP | disclosed |
| US-7501457-B2 | Dental materials based on multicyclic allyl sulphides | IVOCLAR VIVADENT AG (LI) | 2009-03-10 | — | — | US | disclosed |
| US-20070203256-A1 | Dental materials based on multicyclic allyl sulphides | IVOCLAR VIVADENT AG, LIECHTENSTEIN | 2007-08-30 | — | — | US | disclosed |
| EP-1825843-A1 | Dental material based on multicyclic allyl sulfides | Ivoclar Vivadent AG (LI) | 2007-08-29 | — | — | EP | disclosed |