⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4637291 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL11671028 | 0.80 | — | — | |
| SCHEMBL704202 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL704696 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL4636526 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL476132 | 0.76 | — | — | |
| SCHEMBL5403227 | 0.74 | — | — | |
| SCHEMBL705061 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL13089113 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL712067 | 0.74 | KDM4E (0.35) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100509825-C | Organofunctional surface-modified metal oxides | WACKER CHEMIE GMBH (DE) | 2009-07-08 | — | — | CN | disclosed |
| US-20080255354-A1 | Method for Producing Alkoxysilyl Methyl Isocyanurates | WACKER CHEMIE AG (DE) | 2008-10-16 | — | — | US | disclosed |
| EP-1853613-B1 | METHOD FOR PRODUCING ALKOXYSILYL METHYL ISOCYANURATES | WACKER CHEMIE AG (DE) | 2008-07-02 | — | — | EP | disclosed |
| EP-1853613-A1 | METHOD FOR PRODUCING ALKOXYSILYL METHYL ISOCYANURATES | Wacker Chemie AG (DE) | 2007-11-14 | — | — | EP | disclosed |
| US-7276615-B2 | Organofunctional surface-modified metal oxides | WACKER CHEMIE AG (DE) | 2007-10-02 | — | — | US | disclosed |
| WO-2006092324-A1 | METHOD FOR PRODUCING ALKOXYSILYL METHYL ISOCYANURATES | WACKER CHEMIE AG (DE) | 2006-09-08 | — | — | WO | disclosed |
| EP-1473296-B1 | Organofunctional surface modified metal oxides | WACKER CHEMIE AG (DE) | 2006-08-02 | — | — | EP | disclosed |
| CN-1572794-A | Organofunctional surface-modified metal oxides | WACKER CHEMIE GMBH (DE) | 2005-02-02 | — | — | CN | disclosed |
| US-20040220419-A1 | Organofunctional surface-modified metal oxides | WACKER-CHEMIE GMBH (DE) | 2004-11-04 | — | — | US | disclosed |
| EP-1473296-A1 | Organofunctional surface modified metal oxides | Wacker-Chemie GmbH (DE) | 2004-11-03 | — | — | EP | disclosed |