⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9763708 | 0.83 | — | — | |
| SCHEMBL9906112 | 0.82 | TDP1 (0.33) | — | |
| SCHEMBL169489 | 0.79 | — | — | |
| SCHEMBL4540250 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL9814628 | 0.77 | TDP1 (0.36) | — | |
| SCHEMBL990556 | 0.76 | EPHX2 (0.31) | — | |
| SCHEMBL375629 | 0.76 | EPHX2 (0.45) | — | |
| SCHEMBL2498409 | 0.76 | PAOX (0.36) | — | |
| SCHEMBL22472120 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL9396117 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3556731-A1 | METHOD FOR THE CHEMICAL MODIFICATION OF METAL OXIDE SURFACES | Justus-Liebig-Universität Gießen (DE) | 2019-10-23 | — | — | EP | disclosed |
| US-8367748-B2 | Surface-modified fillers | IVOCLAR VIVADENT AG (LI) | 2013-02-05 | — | — | US | disclosed |
| US-8367748-B2 | Surface-modified fillers | IVOCLAR VIVADENT AG (LI) | 2013-02-05 | — | — | US | disclosed |
| EP-2277496-A1 | Dental material containing surface-modified fillers | Ivoclar Vivadent AG (LI) | 2011-01-26 | — | — | EP | disclosed |
| EP-1716836-B1 | Surface-modified fillers | IVOCLAR VIVADENT AG (LI) | 2011-01-19 | — | — | EP | disclosed |
| EP-1716836-A1 | Surface-modified fillers | Ivoclar Vivadent AG (LI) | 2006-11-02 | — | — | EP | disclosed |
| US-20060247329-A1 | Surface-modified fillers | IVOCLAR VIVADENT AG (LI) | 2006-11-02 | — | — | US | disclosed |