⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16914417 | 1.00 | — | — | |
| SCHEMBL22798668 | 1.00 | — | — | |
| SCHEMBL20571856 | 1.00 | — | — | |
| SCHEMBL22799054 | 1.00 | — | — | |
| SCHEMBL20571857 | 1.00 | — | — | |
| SCHEMBL18330203 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL31184432 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL22084450 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL20571735 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL16925343 | 0.86 | USP2 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116478131-A | 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-116478132-A | 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-07-25 | — | — | CN | disclosed |
| 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 |