⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13862155 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL8198026 | 0.72 | — | — | |
| SCHEMBL3210769 | 0.70 | — | — | |
| SCHEMBL2355275 | 0.70 | — | — | |
| SCHEMBL23367395 | 0.68 | — | — | |
| SCHEMBL7003401 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL6935607 | 0.67 | — | — | |
| SCHEMBL8439010 | 0.67 | — | — | |
| SCHEMBL23837705 | 0.67 | — | — | |
| SCHEMBL8728665 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130109865-A1 | METHODS OF PREPARING 1-(4-((1R,2S,3R)-1,2,3,4-TETRAHYDROXYBUTYL)-1H-IMIDAZOL-2-YL)ETHANONE | LEXICON PHARMACEUTICALS, INC. | 2013-05-02 | — | — | US | disclosed |
| EP-2493861-A1 | METHODS OF PREPARING 1-(4-((1R,2S,3R)-1,2,3,4-TETRAHYDROXYBUTYL)-1H-IMIDAZOL-2-YL)ETHANONE | Lexicon Pharmaceuticals, Inc. (US) | 2012-09-05 | — | — | EP | disclosed |
| CN-102648185-A | Methods of preparing 1-(4-((1r,2s,3r)-1,2,3,4-tetrahydroxybutyl)-1h-imidazol-2-yl)ethanone | LEXICON PHARMACEUTICALS INC | 2012-08-22 | — | — | CN | disclosed |
| WO-2011053546-A1 | METHODS OF PREPARING 1-(4-((1R,2S,3R)-1,2,3,4-TETRAHYDROXYBUTYL)-1H-IMIDAZOL-2-YL)ETHANONE | LEXICON PHARMACEUTICALS, INC. (US) | 2011-05-05 | — | — | WO | disclosed |
| US-20110098482-A1 | METHODS OF PREPARING 1-(4-((1R,2S,3R)-1,2,3,4-TETRAHYDROXYBUTYL)-1H-IMIDAZOL-2-YL)ETHANONE | LEXICON PHARMACEUTICALS, INC. | 2011-04-28 | — | — | US | disclosed |