⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7942141 | 1.00 | — | — | |
| SCHEMBL12533497 | 1.00 | — | — | |
| SCHEMBL15344672 | 1.00 | — | — | |
| SCHEMBL24465858 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL19674892 | 0.80 | PTGS1 (0.30) | — | |
| SCHEMBL18479717 | 0.78 | — | — | |
| SCHEMBL15787790 | 0.76 | — | — | |
| SCHEMBL24401600 | 0.76 | — | — | |
| SCHEMBL24751913 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL12087534 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-9873716-B2 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2018-01-23 | — | — | US | disclosed |
| US-20170190734-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Selcia Ltd. (GB) | 2017-07-06 | — | — | US | disclosed |
| US-20170190737-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2017-07-06 | — | — | US | disclosed |