⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25160906 | 0.62 | — | — | |
| SCHEMBL1292879 | 0.62 | — | — | |
| SCHEMBL18404067 | 0.59 | — | — | |
| SCHEMBL24835057 | 0.59 | — | — | |
| SCHEMBL15326704 | 0.59 | — | — | |
| SCHEMBL24813569 | 0.59 | — | — | |
| SCHEMBL18963409 | 0.56 | — | — | |
| SCHEMBL23073439 | 0.56 | — | — | |
| SCHEMBL22417302 | 0.56 | — | — | |
| SCHEMBL15326705 | 0.56 | JAK2 (0.31) | — |
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-2010031813-A1 | GLYCOSIDE DERIVATIVES AND USES THEREOF | NOVARTIS AG (CH) | 2010-03-25 | — | — | WO | disclosed |