⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1987496 | 0.75 | — | — | |
| SCHEMBL5410490 | 0.75 | — | — | |
| SCHEMBL5418486 | 0.72 | — | — | |
| SCHEMBL1586185 | 0.71 | — | — | |
| SCHEMBL13059559 | 0.70 | — | — | |
| SCHEMBL5413088 | 0.69 | — | — | |
| SCHEMBL17109054 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL12431110 | 0.66 | — | — | |
| SCHEMBL5691344 | 0.65 | GABRR1 (0.34) | — | |
| SCHEMBL13324223 | 0.65 | — | — |
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-6852822-B1 | Hydrolyzable silanes and polymerizable silanes with low viscosity and use thereof | 3M ESPE AG (DE) | 2005-02-08 | — | — | US | disclosed |
| EP-1202997-B1 | HYDROLYZABLE SILANES AND POLYMERIZABLE SILANES WITH LOW VISCOSITY AND USE THEREOF | 3M ESPE AG (DE) | 2003-09-17 | — | — | EP | disclosed |
| EP-1202997-A1 | HYDROLYZABLE SILANES AND POLYMERIZABLE SILANES WITH LOW VISCOSITY AND USE THEREOF | 3M Espe AG (DE) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001007444-A1 | HYDROLYZABLE SILANES AND POLYMERIZABLE SILANES WITH LOW VISCOSITY AND USE THEREOF | 3M ESPE AG (DE) | 2001-02-01 | — | — | WO | disclosed |