⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27627179 | 0.77 | — | — | |
| SCHEMBL27879670 | 0.69 | — | — | |
| SCHEMBL27896451 | 0.67 | — | — | |
| SCHEMBL27896445 | 0.66 | ATM (0.30) | — | |
| SCHEMBL27932790 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL27693621 | 0.64 | ADH1B (0.38) | — | |
| SCHEMBL27647412 | 0.63 | ADH1B (0.30) | — | |
| SCHEMBL28233826 | 0.61 | — | — | |
| SCHEMBL28310282 | 0.60 | — | — | |
| SCHEMBL18724719 | 0.60 | — | — |
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-108289893-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2018-07-17 | — | — | CN | disclosed |