⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16870510 | 1.00 | — | — | |
| SCHEMBL8664423 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL10492901 | 0.77 | — | — | |
| SCHEMBL8762992 | 0.77 | — | — | |
| SCHEMBL2169507 | 0.77 | ALDH1A1 (0.47) | — | |
| Butadiene SCHEMBL11330870 | 0.75 | ALDH1A1 (0.44) | — | |
| Butadiene SCHEMBL11330855 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL23071555 | 0.74 | ALDH1A1 (0.45) | — | |
| Ethylene SCHEMBL1618356 | 0.74 | ALDH1A1 (0.45) | — | |
| Acrylic Acid SCHEMBL1745316 | 0.74 | LMNA (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101600448-B | Glycerol-linked PEGylated saccharides and glycopeptides | NOVO NORDISK A/S (DK) | 2015-11-25 | — | — | CN | disclosed |