⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15574758 | 1.00 | — | — | |
| SCHEMBL17014842 | 0.87 | — | — | |
| SCHEMBL15573388 | 0.87 | — | — | |
| SCHEMBL15833186 | 0.86 | POLB (0.33) | — | |
| SCHEMBL18430203 | 0.84 | POLB (0.31) | — | |
| SCHEMBL15833192 | 0.82 | POLB (0.33) | — | |
| SCHEMBL15837461 | 0.78 | — | — | |
| SCHEMBL18408910 | 0.75 | — | — | |
| SCHEMBL18408911 | 0.75 | — | — | |
| SCHEMBL18430128 | 0.74 | ABCC9 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150232501-A1 | 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections | NOVARTIS AG (CH) | 2015-08-20 | — | — | US | disclosed |