⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24201492 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL20725199 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL20725160 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL20725165 | 0.80 | CHRM2 (0.39) | — | |
| SCHEMBL17867789 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL16155661 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL17867738 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL21183335 | 0.74 | NLRP3 (0.32) | — | |
| SCHEMBL24201362 | 0.74 | CA12 (0.35) | — | |
| SCHEMBL10345152 | 0.73 | CA2 (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3939595-A1 | ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY | Board of Regents, The University of Texas System (US) | 2022-01-19 | — | — | EP | disclosed |