⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13083170 | 0.78 | — | — | |
| SCHEMBL22005181 | 0.73 | — | — | |
| SCHEMBL21945263 | 0.72 | — | — | |
| SCHEMBL12283784 | 0.71 | — | — | |
| SCHEMBL21894241 | 0.71 | — | — | |
| SCHEMBL12142292 | 0.71 | — | — | |
| SCHEMBL21696940 | 0.70 | — | — | |
| SCHEMBL11174855 | 0.69 | — | — | |
| SCHEMBL10283405 | 0.69 | — | — | |
| SCHEMBL21203047 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2953461-B1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME (US) | 2020-04-22 | — | — | EP | disclosed |