⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22546507 | 0.87 | — | — | |
| SCHEMBL1076013 | 0.87 | — | — | |
| SCHEMBL29012798 | 0.87 | — | — | |
| SCHEMBL20876415 | 0.87 | — | — | |
| SCHEMBL24739354 | 0.80 | — | — | |
| SCHEMBL14963187 | 0.77 | — | — | |
| SCHEMBL12426905 | 0.77 | GABRR1 (0.52) | — | |
| SCHEMBL30606892 | 0.77 | — | — | |
| SCHEMBL30256315 | 0.77 | GABRR1 (0.52) | — | |
| SCHEMBL30564291 | 0.77 | GABRR1 (0.52) | — |
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 |