⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18914846 | 0.89 | — | — | |
| SCHEMBL17167540 | 0.87 | TLR4 (0.35) | — | |
| SCHEMBL17167853 | 0.82 | F10 (0.43) | — | |
| SCHEMBL17167545 | 0.82 | F10 (0.43) | — | |
| SCHEMBL17167763 | 0.81 | SELP (0.33) | — | |
| SCHEMBL17167546 | 0.76 | F10 (0.45) | — | |
| SCHEMBL17167726 | 0.71 | HPSE (0.31) | — | |
| SCHEMBL17167842 | 0.67 | MDK (0.41) | — | |
| SCHEMBL17167547 | 0.67 | MDK (0.41) | — | |
| SCHEMBL17167667 | 0.66 | HPSE (0.47) | — |
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-20170152279-A9 | Saccharide Dendritic Cluster Compounds as Inhibitors of Bace-1 | UNIVERSITY OF LIVERPOOL (GB) | 2017-06-01 | — | — | US | disclosed |