⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3768074 | 0.93 | SPHK2 (0.44) | — | |
| SCHEMBL3187421 | 0.91 | MEN1 (0.47) | — | |
| SCHEMBL3502978 | 0.91 | MEN1 (0.47) | — | |
| SCHEMBL8441156 | 0.91 | MEN1 (0.47) | — | |
| SCHEMBL15067867 | 0.91 | MEN1 (0.47) | — | |
| SCHEMBL3502981 | 0.91 | MEN1 (0.47) | — | |
| SCHEMBL7738862 | 0.91 | MEN1 (0.47) | — | |
| SCHEMBL321874 | 0.91 | MEN1 (0.47) | — | |
| SCHEMBL1902371 | 0.85 | MAPT (0.51) | — | |
| SCHEMBL1717785 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011104134-A1 | SACCHARIDE DERIVATIVES | UNIVERSITY OF PORTSMOUTH HIGHER EDUCATION CORPORATION (GB) | 2011-09-01 | — | — | WO | disclosed |