⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1755602 | 1.00 | — | — | |
| SCHEMBL221209 | 0.81 | — | — | |
| SCHEMBL589612 | 0.81 | — | — | |
| SCHEMBL30169017 | 0.75 | — | — | |
| SCHEMBL13744834 | 0.75 | — | — | |
| SCHEMBL29524640 | 0.74 | — | — | |
| SCHEMBL29659053 | 0.74 | — | — | |
| SCHEMBL10399561 | 0.74 | — | — | |
| SCHEMBL927252 | 0.74 | — | — | |
| SCHEMBL2541709 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4308230-A1 | HETEROARYL INHIBITORS OF PLASMA KALLIKREIN | Takeda Pharmaceutical Company Limited (JP) | 2024-01-24 | — | — | EP | disclosed |
| WO-2022197758-A1 | HETEROARYL INHIBITORS OF PLASMA KALLIKREIN | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2022-09-22 | — | — | WO | disclosed |