⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11504264 | 0.77 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL28174598 | 0.67 | GBA1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL21838844 | 0.67 | SLC6A2 (0.43) | — | |
| SCHEMBL15302353 | 0.64 | — | — | |
| SCHEMBL20969513 | 0.64 | — | — | |
| SCHEMBL2623590 | 0.64 | — | — | |
| SCHEMBL14105458 | 0.64 | — | — | |
| SCHEMBL14105444 | 0.64 | — | — | |
| SCHEMBL17130831 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL17111229 | 0.62 | SLC6A2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107235896-B | Tyrosine kinase inhibitor and application thereof | 上海翔锦生物科技有限公司 | 2019-11-05 | — | — | CN | disclosed |
| CN-107235896-A | Tyrosine kinase inhibitor and application thereof | 上海翔锦生物科技有限公司 | 2017-10-10 | — | — | CN | disclosed |