⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23790318 | 1.00 | — | — | |
| SCHEMBL16627528 | 0.92 | — | — | |
| SCHEMBL23337939 | 0.86 | — | — | |
| SCHEMBL20320377 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL16627539 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL21610595 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL29813953 | 0.77 | OPRM1 (0.31) | — | |
| SCHEMBL16627533 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL24069663 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL24409073 | 0.74 | MAPT (0.32) | — |
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-2024062250-A1 | IMIDAZOLYL-AMINO-PYRAZINE-CARBONITRILS AS CHK-1 INHIBITORS | BENEVOLENTAI BIO LIMITED (GB) | 2024-03-28 | — | — | WO | disclosed |