⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1260607 | 0.71 | — | — | |
| Dihydroxyacetone SCHEMBL2555249 | 0.67 | OR51E2 (0.40) | — | |
| SCHEMBL2063233 | 0.67 | — | — | |
| Glycolic Acid SCHEMBL2518351 | 0.67 | LMNA (0.50) | — | |
| Glycolic Acid SCHEMBL6362687 | 0.67 | — | — | |
| Dihydroxyacetone SCHEMBL70 | 0.67 | — | — | |
| Glycolic Acid SCHEMBL1331333 | 0.67 | — | — | |
| Glycolic Acid SCHEMBL1222 | 0.67 | — | — | |
| Glycolic Acid SCHEMBL811403 | 0.67 | LMNA (0.50) | — | |
| Glycolic Acid SCHEMBL11698763 | 0.67 | LMNA (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6245902-B1 | USEFUL FOR PREPARING C-GLYCOSIDE ANALOGS OF GANGLIOSIDES, PEPTIDES, AND PROTEINS, AS WELL AS SYNTHETIC INTERMEDIATES USEFUL FOR THE PREPARATION OF THE PRECURSORS | UNIVERSITY OF IOWA RESEARCH FOUNDATION | 2001-06-12 | — | — | US | disclosed |
| WO-2001010877-A1 | C-GLYCOSIDE ANALOGS AND METHODS FOR THEIR PREPARATION AND USE | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2001-02-15 | — | — | WO | disclosed |