⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8037131 | 1.00 | — | — | |
| SCHEMBL8037137 | 1.00 | — | — | |
| SCHEMBL26430650 | 1.00 | — | — | |
| Acetic Acid SCHEMBL8040523 | 0.86 | USP2 (0.38) | — | |
| Acetic Acid SCHEMBL8039043 | 0.86 | USP2 (0.38) | — | |
| SCHEMBL8037135 | 0.83 | KDM4E (0.58) | — | |
| SCHEMBL8039059 | 0.83 | KDM4E (0.52) | — | |
| SCHEMBL8027212 | 0.83 | KDM4E (0.52) | — | |
| SCHEMBL8043354 | 0.83 | KDM4E (0.52) | — | |
| SCHEMBL1568345 | 0.83 | KDM4E (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0796241-B1 | COMPOUNDS AND METHODS FOR MONOSACCHARIDE ANALYSIS | BENDIAK BRAD K (US) | 2000-04-05 | — | — | EP | disclosed |
| EP-0796241-A2 | COMPOUNDS AND METHODS FOR MONOSACCHARIDE ANALYSIS | Bendiak, Brad K. (US) | 1997-09-24 | — | — | EP | disclosed |
| US-5585473-A | Compounds and methods for monosaccharide analysis | THE BIOMEMBRANE INSTITUTE (US) | 1996-12-17 | — | — | US | disclosed |
| WO-1996017824-A2 | COMPOUNDS AND METHODS FOR MONOSACCHARIDE ANALYSIS | BIOMEMBRANE INST (US) | 1996-06-13 | — | — | WO | disclosed |