⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22073959 | 1.00 | — | — | |
| SCHEMBL30888062 | 0.78 | — | — | |
| SCHEMBL3000289 | 0.78 | — | — | |
| SCHEMBL2995714 | 0.78 | — | — | |
| SCHEMBL1706472 | 0.78 | — | — | |
| SCHEMBL25564621 | 0.77 | TP53 (0.45) | — | |
| SCHEMBL6907945 | 0.76 | — | — | |
| SCHEMBL2069150 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL18668309 | 0.75 | — | — | |
| Bicarbonate SCHEMBL27864073 | 0.73 | TP53 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220017513-A1 | AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE | SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) | 2022-01-20 | — | — | US | disclosed |