⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10119130 | 0.92 | EPHX1 (0.30) | — | |
| SCHEMBL10078838 | 0.88 | THRB (0.33) | — | |
| SCHEMBL10079900 | 0.83 | — | — | |
| SCHEMBL10078841 | 0.80 | — | — | |
| SCHEMBL15299822 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL10119364 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL19998642 | 0.74 | — | — | |
| SCHEMBL10080098 | 0.74 | — | — | |
| SCHEMBL10119368 | 0.73 | — | — | |
| SCHEMBL10079887 | 0.71 | — | — |
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-20120082959-A1 | Polymerizable Compounds Comprising a Polyalicylic Structure Element | VOCO GMBH (DE) | 2012-04-05 | — | — | US | disclosed |
| US-20120082958-A1 | Composite Material Comprising a Monomer with a Polyalicyclic Structure Element | VOCO GMBH (DE) | 2012-04-05 | — | — | US | disclosed |
| US-20120082637-A1 | Lacquer Composition Comprising a Monomer with a Polyalicyclic Structure Element | VOCO GMBH (DE) | 2012-04-05 | — | — | US | disclosed |
| US-20120083550-A1 | Composite Material Comprising a Monomer with a Polyalicyclic Structure Element as a Sealing Material | VOCO GMBH (DE) | 2012-04-05 | — | — | US | disclosed |
| US-20120082954-A1 | Composition Comprising a Monomer with a Polyalicyclic Structure Element for Filling and/or Sealing a Root Canal | VOCO GMBH (DE) | 2012-04-05 | — | — | US | disclosed |