⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4497137 | 0.60 | — | — | |
| SCHEMBL19253533 | 0.56 | GABRG2 (0.31) | — | |
| SCHEMBL15473978 | 0.55 | — | — | |
| SCHEMBL23541853 | 0.54 | GAA (0.36) | — | |
| SCHEMBL15473960 | 0.53 | CYP1A2 (0.40) | — | |
| SCHEMBL23666129 | 0.52 | MAPT (0.32) | — | |
| SCHEMBL23666179 | 0.52 | — | — | |
| SCHEMBL15473984 | 0.52 | CYP1A2 (0.36) | — | |
| SCHEMBL23666067 | 0.50 | ALDH1A1 (0.33) | — | |
| SCHEMBL23666137 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019233456-A1 | ERK INHIBITOR AND USE THEREOF | 贝达药业股份有限公司 (CN) | 2019-12-12 | — | — | WO | claimed |
| WO-2019233456-A1 | ERK INHIBITOR AND USE THEREOF | 贝达药业股份有限公司 (CN) | 2019-12-12 | — | — | WO | disclosed |