⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22489828 | 0.76 | — | — | |
| SCHEMBL21499281 | 0.76 | — | — | |
| SCHEMBL23708125 | 0.75 | — | — | |
| SCHEMBL21367104 | 0.69 | EPHX1 (0.40) | — | |
| SCHEMBL23708118 | 0.68 | — | — | |
| SCHEMBL6875409 | 0.67 | — | — | |
| SCHEMBL19384096 | 0.67 | — | — | |
| SCHEMBL4693283 | 0.67 | — | — | |
| SCHEMBL23426265 | 0.67 | — | — | |
| SCHEMBL19369923 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10246486-B2 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| US-20170190737-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2017-07-06 | — | — | US | disclosed |