⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13758720 | 0.87 | — | — | |
| SCHEMBL14818374 | 0.87 | SLC6A2 (0.30) | — | |
| SCHEMBL13758718 | 0.86 | — | — | |
| SCHEMBL2620381 | 0.83 | SLC6A4 (0.34) | — | |
| SCHEMBL10249706 | 0.79 | MEN1 (0.36) | — | |
| SCHEMBL10247703 | 0.78 | — | — | |
| SCHEMBL14818405 | 0.78 | SLC6A2 (0.32) | — | |
| SCHEMBL13758717 | 0.77 | — | — | |
| SCHEMBL2105922 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL2105924 | 0.77 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| EP-1879879-B1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2013-03-27 | — | — | EP | disclosed |