⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64976 | 0.71 | — | — | |
| SCHEMBL18548799 | 0.64 | — | — | |
| SCHEMBL15505384 | 0.64 | — | — | |
| SCHEMBL1701925 | 0.64 | ALDH1A1 (0.31) | — | |
| Bromide SCHEMBL7734019 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL23152937 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7734025 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL3340727 | 0.64 | — | — | |
| SCHEMBL2754416 | 0.64 | CA12 (0.40) | — | |
| SCHEMBL1702199 | 0.61 | CA12 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3205650-B1 | EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF | SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020110009-A1 | CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS | NOVARTIS AG (CH) | 2020-06-04 | — | — | WO | disclosed |