⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8877304 | 0.76 | ACHE (0.33) | — | |
| SCHEMBL14124697 | 0.70 | — | — | |
| SCHEMBL8879203 | 0.64 | — | — | |
| SCHEMBL8877342 | 0.61 | CA12 (0.34) | — | |
| SCHEMBL779138 | 0.61 | EPHX1 (0.31) | — | |
| SCHEMBL779139 | 0.59 | MMP2 (0.31) | — | |
| SCHEMBL31619628 | 0.58 | TSHR (0.39) | — | |
| SCHEMBL27746010 | 0.58 | TDP1 (0.39) | — | |
| SCHEMBL969691 | 0.57 | MMP2 (0.39) | — | |
| SCHEMBL7864128 | 0.57 | TSHR (0.37) | — |
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-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 |
| EP-2455059-A1 | Polymerisable compound having improved hardening depth | Ivoclar Vivadent AG (LI) | 2012-05-23 | — | — | EP | disclosed |