⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15273742 | 0.77 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL15273689 | 0.75 | CSNK2A1 (0.32) | — | |
| SCHEMBL16629293 | 0.72 | — | — | |
| SCHEMBL15273651 | 0.72 | — | — | |
| SCHEMBL16629292 | 0.72 | — | — | |
| SCHEMBL29255684 | 0.70 | — | — | |
| SCHEMBL15261543 | 0.69 | — | — | |
| SCHEMBL16629520 | 0.69 | CSNK2A2 (0.31) | — | |
| SCHEMBL24553235 | 0.67 | KDM4E (0.47) | — | |
| SCHEMBL15260721 | 0.67 | — | — |
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-112812128-B | Macrocyclic compounds as ALK and ROS modulators | 正大天晴药业集团股份有限公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-112812128-A | Macrocyclic compounds as ALK and ROS modulators | 正大天晴药业集团股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| WO-2015050989-A2 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | CS THERAPEUTICS INC. (US) | 2015-04-09 | — | — | WO | disclosed |