⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29302557 | 0.84 | — | — | |
| SCHEMBL24737475 | 0.83 | BTK (0.31) | — | |
| SCHEMBL29880188 | 0.83 | BTK (0.31) | — | |
| SCHEMBL29304600 | 0.77 | — | — | |
| SCHEMBL24738864 | 0.73 | BTK (0.32) | — | |
| SCHEMBL24737473 | 0.73 | BTK (0.32) | — | |
| SCHEMBL29302767 | 0.70 | — | — | |
| SCHEMBL24739895 | 0.70 | BTK (0.31) | — | |
| Hydrochloric Acid SCHEMBL29879969 | 0.69 | BTK (0.30) | — | |
| SCHEMBL24738160 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022197758-A1 | HETEROARYL INHIBITORS OF PLASMA KALLIKREIN | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2022-09-22 | — | — | WO | disclosed |