⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29715575 | 0.85 | USP2 (0.42) | — | |
| SCHEMBL22799125 | 0.76 | PTPN11 (0.41) | — | |
| SCHEMBL16914196 | 0.76 | PTPN11 (0.41) | — | |
| SCHEMBL21631388 | 0.76 | PTPN11 (0.41) | — | |
| SCHEMBL28456569 | 0.73 | — | — | |
| SCHEMBL28456488 | 0.73 | NAMPT (0.31) | — | |
| SCHEMBL31184074 | 0.72 | PPM1D (0.32) | — | |
| SCHEMBL20396090 | 0.72 | MGLL (0.46) | — | |
| SCHEMBL29715769 | 0.72 | USP2 (0.40) | — | |
| SCHEMBL22798885 | 0.71 | PTPN11 (0.30) | — |
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-112625028-A | Compounds and compositions for inhibiting SHP2 activity | 诺华股份有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-107922388-B | Compounds and compositions for inhibiting SHP2 activity | 诺华股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-107787323-B | Compounds and compositions for inhibiting SHP2 activity | 诺华股份有限公司 | 2020-09-01 | — | — | CN | disclosed |