⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4409292 | 0.76 | — | — | |
| SCHEMBL10953037 | 0.74 | — | — | |
| SCHEMBL15401757 | 0.74 | — | — | |
| SCHEMBL23812322 | 0.74 | — | — | |
| SCHEMBL15273739 | 0.74 | BCHE (0.34) | — | |
| SCHEMBL19805376 | 0.72 | HDAC8 (0.31) | — | |
| SCHEMBL16468526 | 0.72 | PGR (0.38) | — | |
| SCHEMBL16468110 | 0.72 | BAZ2B (0.40) | — | |
| SCHEMBL6825854 | 0.71 | PLA2G10 (0.44) | — | |
| SCHEMBL352659 | 0.71 | KDM4E (0.46) | — |
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 |