⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9367904 | 0.78 | DPP4 (0.44) | — | |
| SCHEMBL9921277 | 0.78 | DPP4 (0.44) | — | |
| SCHEMBL30539211 | 0.78 | DPP4 (0.44) | — | |
| SCHEMBL241185 | 0.77 | — | — | |
| SCHEMBL4447525 | 0.77 | — | — | |
| SCHEMBL2845616 | 0.77 | — | — | |
| SCHEMBL4553950 | 0.77 | — | — | |
| SCHEMBL30539272 | 0.76 | DPP4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL555916 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL20569354 | 0.74 | — | — |
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-RE47334-E1 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| US-20170190734-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Selcia Ltd. (GB) | 2017-07-06 | — | — | US | disclosed |