⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27034882 | 1.00 | — | — | |
| SCHEMBL17064940 | 1.00 | — | — | |
| SCHEMBL1504406 | 0.88 | — | — | |
| SCHEMBL27034791 | 0.88 | — | — | |
| SCHEMBL3007557 | 0.88 | — | — | |
| SCHEMBL17038126 | 0.87 | — | — | |
| SCHEMBL18965879 | 0.85 | ADH1A (0.35) | — | |
| SCHEMBL8893323 | 0.85 | ADH1A (0.35) | — | |
| SCHEMBL7869549 | 0.85 | ADH1A (0.35) | — | |
| SCHEMBL7114170 | 0.85 | ADH1A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466815-A | Synthesis method of azaanthrone compound | 西北工业大学 | 2024-01-30 | — | — | CN | disclosed |
| EP-3113772-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | Biocryst Pharmaceuticals, Inc. (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134998-A1 | HUMAN PLASMA KALLIKREIN INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2015-09-11 | — | — | WO | disclosed |