⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30173704 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL30055934 | 0.78 | — | — | |
| SCHEMBL30711705 | 0.76 | CRHBP (0.34) | — | |
| SCHEMBL5962091 | 0.74 | — | — | |
| SCHEMBL6788318 | 0.72 | — | — | |
| SCHEMBL11179340 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL10948087 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL6371639 | 0.70 | — | — | |
| SCHEMBL21288180 | 0.69 | — | — | |
| Bromide SCHEMBL27535807 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117396474-A | Plasma kallikrein inhibitors | 武田药品工业株式会社 | 2024-01-12 | — | — | CN | disclosed |