⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1089255 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7190313 | 0.69 | — | — | |
| SCHEMBL4197781 | 0.64 | — | — | |
| SCHEMBL28712721 | 0.62 | — | — | |
| SCHEMBL15732578 | 0.60 | — | — | |
| SCHEMBL4663340 | 0.57 | SKP2 (0.31) | — | |
| SCHEMBL525718 | 0.55 | — | — | |
| SCHEMBL449043 | 0.55 | — | — | |
| SCHEMBL28367623 | 0.55 | — | — | |
| SCHEMBL5613652 | 0.54 | PTGS2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112313775-A | Tunability of dopant concentration in thin hafnium oxide films | 应用材料公司 | 2021-02-02 | — | — | CN | claimed |