⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19840998 | 0.78 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL19840928 | 0.76 | LMNA (0.37) | — | |
| SCHEMBL19840896 | 0.75 | SMYD3 (0.36) | — | |
| SCHEMBL19840779 | 0.73 | — | — | |
| SCHEMBL19840809 | 0.72 | EPHX2 (0.41) | — | |
| SCHEMBL19841032 | 0.72 | NPC1 (0.40) | — | |
| SCHEMBL19841033 | 0.72 | NPC1 (0.39) | — | |
| SCHEMBL19841133 | 0.71 | HDAC3 (0.31) | — | |
| SCHEMBL19841109 | 0.71 | HSP90AA1 (0.33) | — | |
| SCHEMBL19841076 | 0.71 | RAB9A (0.38) | — |
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 |