⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4403864 | 0.86 | PARL (0.30) | — | |
| SCHEMBL4401949 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL10030208 | 0.74 | APEX1 (0.31) | — | |
| SCHEMBL12213947 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL9962916 | 0.72 | PTPN11 (0.35) | — | |
| SCHEMBL6126028 | 0.72 | MPL (0.37) | — | |
| SCHEMBL12213955 | 0.72 | — | — | |
| SCHEMBL10030207 | 0.71 | AURKA (0.35) | — | |
| SCHEMBL13376063 | 0.71 | AURKA (0.35) | — | |
| SCHEMBL12213942 | 0.71 | PTPN11 (0.34) | — |
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-8124792-B2 | Compounds and methods for rapid labeling of N-glycans | PROZYME, INC. (US) | 2012-02-28 | — | — | US | disclosed |
| US-20090258437-A1 | COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS | PROZYME, INC. (US) | 2009-10-15 | — | — | US | disclosed |