⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL792842 | 0.73 | — | — | |
| SCHEMBL1503458 | 0.72 | — | — | |
| SCHEMBL5069894 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL19115513 | 0.65 | — | — | |
| SCHEMBL15581410 | 0.65 | — | — | |
| SCHEMBL12028858 | 0.65 | — | — | |
| SCHEMBL16407891 | 0.65 | — | — | |
| SCHEMBL10496890 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL1355803 | 0.62 | — | — | |
| SCHEMBL4654398 | 0.61 | TSHR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2516430-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011087740-A1 | FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | SCHERING CORPORATION (US) | 2011-07-21 | — | — | WO | disclosed |