⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2964635 | 0.82 | — | — | |
| SCHEMBL2114534 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL2116379 | 0.76 | — | — | |
| SCHEMBL2889656 | 0.76 | — | — | |
| SCHEMBL2384883 | 0.72 | — | — | |
| SCHEMBL2889653 | 0.71 | — | — | |
| SCHEMBL2112601 | 0.71 | APEX1 (0.32) | — | |
| SCHEMBL5548256 | 0.70 | — | — | |
| SCHEMBL2114598 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL2113452 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2113237-B1 | Dental materials with anti-plaque agents | HERAEUS KULZER GMBH (DE) | 2014-12-10 | — | — | EP | disclosed |
| EP-2700394-A2 | Dental adhesive for high performance polymers | Heraeus Kulzer GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| EP-2603192-A2 | USE OF SILICIC ACID(S) FOR IMPROVING THE PROPERTIES OF DENTAL MATERIALS AND CORRESPONDING METHOD | Heraeus Kulzer GmbH (DE) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012019735-A2 | USE OF SILICIC ACID(S) FOR IMPROVING THE PROPERTIES OF DENTAL MATERIALS AND CORRESPONDING METHOD | HERAEUS KULZER GMBH (DE) | 2012-02-16 | — | — | WO | disclosed |
| EP-2113237-A1 | Dental materials with anti-plaque agents | Heraeus Kulzer GmbH (DE) | 2009-11-04 | — | — | EP | disclosed |