⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30296200 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL30295953 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL30295996 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL30295962 | 0.72 | ACACB (0.33) | — | |
| SCHEMBL30295767 | 0.72 | MERTK (0.35) | — | |
| SCHEMBL21154735 | 0.69 | CYP3A4 (0.41) | — | |
| Hydrogen Sulfide SCHEMBL29041447 | 0.68 | CYP3A4 (0.42) | — | |
| SCHEMBL22259299 | 0.61 | THRB (0.36) | — | |
| SCHEMBL29498374 | 0.61 | THRB (0.36) | — | |
| SCHEMBL26975107 | 0.60 | MAPKAPK2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109983001-B | 2, 5-disubstituted 3-methylpyrazines and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-04-04 | — | — | CN | disclosed |