⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6247891 | 0.79 | — | — | |
| SCHEMBL2879624 | 0.77 | — | — | |
| SCHEMBL5398939 | 0.75 | — | — | |
| SCHEMBL5391563 | 0.75 | — | — | |
| SCHEMBL5387469 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL5398088 | 0.71 | PRSS1 (0.33) | — | |
| SCHEMBL5388568 | 0.71 | ACHE (0.31) | — | |
| SCHEMBL545208 | 0.70 | CCR2 (0.32) | — | |
| SCHEMBL523851 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL3475765 | 0.70 | CYP4F2 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276615-B2 | Organofunctional surface-modified metal oxides | WACKER CHEMIE AG (DE) | 2007-10-02 | — | — | US | disclosed |
| EP-1473296-B1 | Organofunctional surface modified metal oxides | WACKER CHEMIE AG (DE) | 2006-08-02 | — | — | EP | 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 |