⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5636926 | 1.00 | — | — | |
| SCHEMBL5636927 | 1.00 | — | — | |
| SCHEMBL727652 | 0.73 | — | — | |
| SCHEMBL1537258 | 0.73 | — | — | |
| SCHEMBL15434423 | 0.73 | — | — | |
| SCHEMBL22856951 | 0.69 | — | — | |
| SCHEMBL14616179 | 0.69 | — | — | |
| SCHEMBL332914 | 0.65 | — | — | |
| Bicarbonate SCHEMBL20423551 | 0.65 | ABAT (0.36) | — | |
| SCHEMBL17011566 | 0.65 | — | — |
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-2012083122-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |