⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30997744 | 1.00 | — | — | |
| SCHEMBL24737788 | 0.83 | MCHR1 (0.31) | — | |
| SCHEMBL30997874 | 0.83 | MCHR1 (0.31) | — | |
| SCHEMBL24737473 | 0.78 | BTK (0.32) | — | |
| SCHEMBL24738864 | 0.78 | BTK (0.32) | — | |
| SCHEMBL24740039 | 0.78 | BTK (0.31) | — | |
| SCHEMBL29879631 | 0.78 | BTK (0.31) | — | |
| SCHEMBL29879668 | 0.78 | BTK (0.31) | — | |
| Hydrochloric Acid SCHEMBL31658596 | 0.77 | BTK (0.32) | — | |
| SCHEMBL24737797 | 0.76 | SCN9A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |