⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14838176 | 0.74 | — | — | |
| SCHEMBL6054100 | 0.74 | — | — | |
| SCHEMBL7235490 | 0.71 | — | — | |
| SCHEMBL3157250 | 0.71 | — | — | |
| SCHEMBL19244645 | 0.71 | — | — | |
| SCHEMBL28962159 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL3140606 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL523088 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL3138024 | 0.67 | — | — | |
| SCHEMBL3140541 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0963398-B1 | ORGANIC/INORGANIC COMPOSITES WITH LOW HYDROXYL GROUP CONTENT, METHOD FOR THEIR PRODUCTION AND APPLICATION | INST NEUE MAT GEMEIN GMBH (DE) | 2002-08-07 | — | — | EP | disclosed |
| EP-0963398-A1 | ORGANIC/INORGANIC COMPOSITES WITH LOW HYDROXYL GROUP CONTENT, METHOD FOR THEIR PRODUCTION AND APPLICATION | Institut Für Neue Materialien gem. GmbH (DE) | 1999-12-15 | — | — | EP | disclosed |
| WO-1998037127-A1 | ORGANIC/INORGANIC COMPOSITES WITH LOW HYDROXYL GROUP CONTENT, METHOD FOR THEIR PRODUCTION AND APPLICATION | INSTITUT FÜR NEUE MATERIALIEN GEM. GMBH (DE) | 1998-08-27 | — | — | WO | disclosed |