⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL292337 | 0.90 | BACE1 (0.38) | — | |
| SCHEMBL16950570 | 0.85 | POLB (0.35) | — | |
| SCHEMBL17133924 | 0.75 | ESR2 (0.34) | — | |
| SCHEMBL28299085 | 0.75 | HDAC8 (0.36) | — | |
| SCHEMBL20399655 | 0.75 | POLB (0.35) | — | |
| SCHEMBL457279 | 0.74 | — | — | |
| SCHEMBL2254634 | 0.73 | CYP11B2 (0.39) | — | |
| SCHEMBL455045 | 0.73 | HTR2C (0.37) | — | |
| SCHEMBL16953708 | 0.73 | — | — | |
| SCHEMBL16958384 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113307772-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2024-06-28 | — | — | CN | disclosed |
| CN-113307772-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-106257976-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2021-02-02 | — | — | CN | disclosed |
| CN-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |