⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1692524 | 0.78 | — | — | |
| SCHEMBL6863642 | 0.76 | — | — | |
| SCHEMBL6410731 | 0.76 | — | — | |
| SCHEMBL29191783 | 0.76 | — | — | |
| SCHEMBL1592496 | 0.76 | — | — | |
| SCHEMBL2011845 | 0.73 | — | — | |
| SCHEMBL8645586 | 0.72 | — | — | |
| SCHEMBL8408706 | 0.72 | — | — | |
| SCHEMBL20496421 | 0.72 | — | — | |
| SCHEMBL3152612 | 0.72 | — | — |
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-116672383-B | Traditional Chinese medicine composition for treating eczema and application thereof | 上海市静安区市北医院 | 2024-05-10 | — | — | CN | disclosed |
| CN-116672383-A | Traditional Chinese medicine composition for treating eczema and application thereof | 上海市静安区市北医院 | 2023-09-01 | — | — | CN | disclosed |
| WO-1992015326-A1 | TARGETING COMPLEX MEDIATED IMMUNOGENICITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-09-17 | — | — | WO | disclosed |