⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5111116 | 0.74 | TSHR (0.57) | — | |
| SCHEMBL4645932 | 0.74 | — | — | |
| SCHEMBL6212639 | 0.74 | — | — | |
| SCHEMBL4036003 | 0.70 | — | — | |
| SCHEMBL12809774 | 0.70 | — | — | |
| SCHEMBL15338661 | 0.69 | — | — | |
| SCHEMBL38296 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL5072514 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL22116424 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL5070157 | 0.69 | ALDH1A1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9464075-B2 | Influenza A virus inhibition | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2016-10-11 | — | — | US | disclosed |
| US-9464075-B2 | Influenza A virus inhibition | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2016-10-11 | — | — | US | disclosed |
| US-20110294785-A1 | INFLUENZA A VIRUS INHIBITION | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-12-01 | — | — | US | disclosed |
| US-20110294785-A1 | INFLUENZA A VIRUS INHIBITION | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-12-01 | — | — | US | disclosed |
| WO-2010033340-A1 | INFLUENZA A VIRUS INHIBITION | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2010-03-25 | — | — | WO | disclosed |