⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19840964 | 0.85 | LMNA (0.38) | — | |
| SCHEMBL19840760 | 0.82 | NOTUM (0.42) | — | |
| SCHEMBL19841175 | 0.79 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL19841066 | 0.78 | CYP2C19 (0.47) | — | |
| SCHEMBL19840879 | 0.77 | CHRM2 (0.33) | — | |
| SCHEMBL19840903 | 0.77 | CA12 (0.36) | — | |
| SCHEMBL19840998 | 0.75 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL19840878 | 0.73 | — | — | |
| SCHEMBL19840713 | 0.73 | CYP1A2 (0.49) | — | |
| SCHEMBL19840734 | 0.73 | — | — |
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 |