⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31658626 | 0.99 | — | — | |
| SCHEMBL24738916 | 0.92 | — | — | |
| SCHEMBL24737438 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL29879523 | 0.86 | — | — | |
| SCHEMBL29302506 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL31658610 | 0.84 | — | — | |
| SCHEMBL29302503 | 0.83 | CYP19A1 (0.31) | — | |
| SCHEMBL24737469 | 0.82 | — | — | |
| SCHEMBL24738083 | 0.82 | GSK3A (0.31) | — | |
| SCHEMBL29302501 | 0.81 | — | — |
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 3 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 |
| WO-2022197758-A1 | HETEROARYL INHIBITORS OF PLASMA KALLIKREIN | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2022-09-22 | — | — | WO | disclosed |