⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8738857 | 0.71 | — | — | |
| SCHEMBL13815121 | 0.69 | — | — | |
| SCHEMBL4071694 | 0.65 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL15078765 | 0.65 | — | — | |
| SCHEMBL29414201 | 0.63 | — | — | |
| SCHEMBL2010663 | 0.63 | — | — | |
| SCHEMBL13326775 | 0.63 | — | — | |
| SCHEMBL18927637 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL19902800 | 0.62 | — | — | |
| SCHEMBL13074027 | 0.62 | — | — |
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-2014135495-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | WO | disclosed |