⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21744369 | 0.84 | — | — | |
| SCHEMBL2101136 | 0.74 | — | — | |
| SCHEMBL2279102 | 0.69 | — | — | |
| SCHEMBL21977090 | 0.69 | — | — | |
| SCHEMBL17176301 | 0.67 | — | — | |
| SCHEMBL19194925 | 0.67 | — | — | |
| SCHEMBL17177200 | 0.67 | — | — | |
| SCHEMBL12853651 | 0.67 | — | — | |
| SCHEMBL21360179 | 0.65 | — | — | |
| SCHEMBL17533123 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2861604-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-03-01 | — | — | EP | disclosed |