⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14566353 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL3072338 | 0.77 | TDP1 (0.32) | — | |
| SCHEMBL15625124 | 0.75 | DGAT1 (0.42) | — | |
| SCHEMBL16647560 | 0.73 | — | — | |
| SCHEMBL2514266 | 0.73 | TDP1 (0.35) | — | |
| SCHEMBL15468707 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL12149865 | 0.71 | RIPK1 (0.31) | — | |
| SCHEMBL20058601 | 0.70 | TDP1 (0.31) | — | |
| SCHEMBL15612820 | 0.69 | — | — | |
| SCHEMBL1576926 | 0.69 | DGAT1 (0.45) | — |
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-2006122207-A1 | 6-HYDRAZINOPURINE 2'-METHYL RIBONUCLEOSIDES AND NUCLEOTIDES FOR TREATMENT OF HCV | VALEANT RESEARCH & DEVELOPMENT (US) | 2006-11-16 | — | — | WO | disclosed |