⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21555564 | 0.79 | — | — | |
| SCHEMBL21107595 | 0.76 | — | — | |
| SCHEMBL19089959 | 0.72 | — | — | |
| SCHEMBL22990345 | 0.70 | — | — | |
| SCHEMBL18400888 | 0.69 | — | — | |
| SCHEMBL19558089 | 0.69 | — | — | |
| SCHEMBL8172757 | 0.69 | — | — | |
| SCHEMBL26350611 | 0.68 | — | — | |
| SCHEMBL21334178 | 0.67 | — | — | |
| SCHEMBL21441777 | 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-RE47334-E1 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| US-9873716-B2 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2018-01-23 | — | — | US | disclosed |