⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12522737 | 0.84 | — | — | |
| SCHEMBL1270407 | 0.75 | — | — | |
| SCHEMBL5391012 | 0.74 | — | — | |
| SCHEMBL16134932 | 0.74 | — | — | |
| SCHEMBL24039246 | 0.68 | — | — | |
| SCHEMBL21622655 | 0.66 | — | — | |
| SCHEMBL16134931 | 0.66 | — | — | |
| SCHEMBL24136795 | 0.65 | — | — | |
| SCHEMBL14638683 | 0.62 | — | — | |
| SCHEMBL28307728 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. | 2020-06-04 | — | — | US | disclosed |