⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5084477 | 0.79 | — | — | |
| SCHEMBL19787726 | 0.73 | — | — | |
| SCHEMBL22168247 | 0.71 | — | — | |
| SCHEMBL733704 | 0.68 | — | — | |
| SCHEMBL5081575 | 0.65 | — | — | |
| SCHEMBL17837985 | 0.65 | — | — | |
| SCHEMBL15700760 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL9550957 | 0.62 | — | — | |
| SCHEMBL17666000 | 0.62 | — | — | |
| SCHEMBL10380928 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10472392-B2 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2019-11-12 | — | — | US | disclosed |
| 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 |