⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18563121 | 1.00 | — | — | |
| SCHEMBL18563108 | 0.80 | — | — | |
| SCHEMBL18563140 | 0.80 | — | — | |
| SCHEMBL18563114 | 0.80 | — | — | |
| SCHEMBL18563117 | 0.80 | — | — | |
| SCHEMBL18563109 | 0.80 | — | — | |
| SCHEMBL13645046 | 0.77 | — | — | |
| SCHEMBL18086490 | 0.75 | — | — | |
| SCHEMBL13250650 | 0.75 | — | — | |
| SCHEMBL13696846 | 0.75 | — | — |
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-20170334941-A1 | 2',2'-DIHALO NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER | EMORY UNIVERSITY | 2017-11-23 | — | — | US | disclosed |