⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2952935 | 0.66 | TOP2A (0.40) | — | |
| SCHEMBL2946943 | 0.63 | TOP2A (0.32) | — | |
| Bromide SCHEMBL4394932 | 0.53 | TOP2A (0.41) | — | |
| SCHEMBL20158391 | 0.52 | — | — | |
| SCHEMBL10393435 | 0.49 | — | — | |
| SCHEMBL22236868 | 0.49 | GBA1 (0.49) | — | |
| SCHEMBL31291796 | 0.48 | CYP3A4 (0.50) | — | |
| SCHEMBL21383895 | 0.48 | CHRM2 (0.47) | — | |
| SCHEMBL19766611 | 0.48 | — | — | |
| SCHEMBL3191229 | 0.48 | KMT2A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070065443-A1 | Fructoseamine 3 kinase and the formation of collagen and elastin | DYNAMIS THERAPEUTICS, INC. | 2007-03-22 | — | — | US | disclosed |