⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10448303 | 0.80 | — | — | |
| SCHEMBL22764232 | 0.74 | — | — | |
| SCHEMBL22764088 | 0.72 | — | — | |
| SCHEMBL21100644 | 0.72 | — | — | |
| SCHEMBL14118349 | 0.70 | — | — | |
| SCHEMBL26873971 | 0.70 | — | — | |
| SCHEMBL25547915 | 0.69 | — | — | |
| SCHEMBL27394977 | 0.67 | — | — | |
| SCHEMBL14681223 | 0.67 | — | — | |
| SCHEMBL24348508 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020247736-A1 | HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS | UNIVERSITY OF MASSACHUSETTS (US) | 2020-12-10 | — | — | WO | disclosed |