⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27262718 | 0.98 | NQO1 (0.31) | — | |
| SCHEMBL7603559 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL11661421 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL5252355 | 0.78 | — | — | |
| SCHEMBL31406724 | 0.77 | — | — | |
| SCHEMBL5116169 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL17870842 | 0.75 | RARB (0.36) | — | |
| SCHEMBL3861302 | 0.75 | HRH3 (0.40) | — | |
| SCHEMBL350156 | 0.75 | — | — | |
| SCHEMBL5117119 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1077706-A1 | IONOPHORE CONTAINING COMPOSITION FOR MODULATING AMYLOIDOSIS | UNIVERSITY OF BRITISH COLUMBIA (CA) | 2001-02-28 | — | — | EP | claimed |
| WO-1999059597-A1 | IONOPHORE CONTAINING COMPOSITION FOR MODULATING AMYLOIDOSIS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 1999-11-25 | — | — | WO | claimed |
| EP-1804803-A4 | COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2008-07-30 | — | — | EP | disclosed |
| EP-1804803-A2 | COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS | IRM, LLC (BM) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006050351-A2 | COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2006-05-11 | — | — | WO | disclosed |
| EP-0308788-A2 | Process for the preparation of (aryl)-(dimethyl)-(3-(4-fluoro-3-aryloxyphenyl)propyl) silanes | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-03-29 | — | — | EP | disclosed |