⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19840754 | 0.86 | CYP1A2 (0.31) | — | |
| SCHEMBL19840983 | 0.84 | GRM5 (0.31) | — | |
| SCHEMBL19840962 | 0.84 | — | — | |
| SCHEMBL19840982 | 0.84 | — | — | |
| SCHEMBL19840955 | 0.81 | POLB (0.33) | — | |
| SCHEMBL19840778 | 0.81 | HDAC1 (0.36) | — | |
| SCHEMBL19840866 | 0.81 | ANPEP (0.35) | — | |
| SCHEMBL19840828 | 0.80 | GPR119 (0.32) | — | |
| SCHEMBL19840936 | 0.79 | ACACB (0.32) | — | |
| SCHEMBL19840852 | 0.79 | CXCR4 (0.35) | — |
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-9884832-B2 | Inhibitors targeting drug-resistant influenza A | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-02-06 | — | — | US | disclosed |