⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30997786 | 1.00 | — | — | |
| SCHEMBL24738264 | 0.92 | — | — | |
| SCHEMBL30997785 | 0.92 | — | — | |
| SCHEMBL24739093 | 0.91 | — | — | |
| SCHEMBL29879417 | 0.90 | KLKB1 (0.31) | — | |
| SCHEMBL29136873 | 0.90 | KLKB1 (0.31) | — | |
| SCHEMBL24737810 | 0.89 | — | — | |
| SCHEMBL24738262 | 0.89 | GSK3B (0.32) | — | |
| SCHEMBL29305550 | 0.88 | MKNK1 (0.34) | — | |
| SCHEMBL24737672 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240228488-A1 | HETEROARYL INHIBITORS OF PLASMA KALLIKREIN | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-11 | — | — | US | disclosed |
| US-20240228488-A1 | HETEROARYL INHIBITORS OF PLASMA KALLIKREIN | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-11 | — | — | US | disclosed |
| CN-117396474-A | Plasma kallikrein inhibitors | 武田药品工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| WO-2022197758-A1 | HETEROARYL INHIBITORS OF PLASMA KALLIKREIN | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2022-09-22 | — | — | WO | disclosed |