⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12991448 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL13933248 | 0.75 | CYP1A2 (0.30) | — | |
| SCHEMBL13952841 | 0.75 | TDP1 (0.36) | — | |
| SCHEMBL268198 | 0.75 | — | — | |
| SCHEMBL1709289 | 0.75 | — | — | |
| SCHEMBL1709336 | 0.75 | — | — | |
| SCHEMBL11128512 | 0.75 | TDP1 (0.37) | — | |
| SCHEMBL3673524 | 0.74 | TDP1 (0.32) | — | |
| SCHEMBL13933249 | 0.73 | CA1 (0.44) | — | |
| SCHEMBL2437225 | 0.72 | — | — |
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-20170281785-A1 | GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES | NOVO NORDISK A/S (DK) | 2017-10-05 | — | — | US | disclosed |
| EP-1908472-A1 | Silicon derivatives for PET imaging | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-04-09 | — | — | EP | disclosed |