⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1880159 | 0.75 | — | — | |
| SCHEMBL765210 | 0.71 | — | — | |
| SCHEMBL3254849 | 0.67 | — | — | |
| SCHEMBL9572899 | 0.65 | — | — | |
| SCHEMBL5850507 | 0.63 | — | — | |
| SCHEMBL3893432 | 0.63 | — | — | |
| SCHEMBL2966471 | 0.61 | — | — | |
| SCHEMBL7905866 | 0.61 | — | — | |
| SCHEMBL29539815 | 0.61 | — | — | |
| SCHEMBL18919899 | 0.61 | — | — |
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-20200268774-A1 | USE OF PHOSPHORYLATED HEPTOSE COMPOUNDS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2020-08-27 | — | — | US | disclosed |