⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779460 | 0.82 | — | — | |
| SCHEMBL8892486 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL28155409 | 0.78 | — | — | |
| SCHEMBL21791959 | 0.78 | — | — | |
| SCHEMBL219777 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL29279605 | 0.78 | — | — | |
| SCHEMBL17240322 | 0.78 | — | — | |
| SCHEMBL12946279 | 0.76 | — | — | |
| SCHEMBL5142904 | 0.74 | — | — | |
| SCHEMBL4454832 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2455059-B1 | Polymerisable compound having improved hardening depth | IVOCLAR VIVADENT AG (LI) | 2014-06-04 | — | — | EP | disclosed |
| US-8557888-B2 | Polymerizable compositions with improved through-curing depth | IVOCLAR VIVADENT AG (LI) | 2013-10-15 | — | — | US | disclosed |
| US-8557888-B2 | Polymerizable compositions with improved through-curing depth | IVOCLAR VIVADENT AG (LI) | 2013-10-15 | — | — | US | disclosed |
| US-20120302657-A1 | Polymerizable compositions with improved through-curing depth | IVOCLAR VIVADENT AG (LI) | 2012-11-29 | — | — | US | disclosed |
| US-20120302657-A1 | Polymerizable compositions with improved through-curing depth | IVOCLAR VIVADENT AG (LI) | 2012-11-29 | — | — | US | disclosed |
| EP-2455059-A1 | Polymerisable compound having improved hardening depth | Ivoclar Vivadent AG (LI) | 2012-05-23 | — | — | EP | disclosed |