⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16837534 | 0.75 | — | — | |
| SCHEMBL214300 | 0.73 | — | — | |
| SCHEMBL9313946 | 0.73 | — | — | |
| SCHEMBL211454 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL213418 | 0.70 | — | — | |
| SCHEMBL215512 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL7539895 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL7539236 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL211685 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL215080 | 0.70 | TSHR (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2861601-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2018-02-07 | — | — | EP | disclosed |
| US-20170190734-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Selcia Ltd. (GB) | 2017-07-06 | — | — | US | disclosed |
| US-9642889-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2017-05-09 | — | — | US | disclosed |
| US-20150361132-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2015-12-17 | — | — | US | disclosed |
| US-9062092-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2015-06-23 | — | — | US | disclosed |