⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6051962 | 0.96 | ALDH1A1 (0.77) | — | |
| SCHEMBL41630 | 0.96 | — | — | |
| SCHEMBL27511433 | 0.96 | — | — | |
| SCHEMBL10341165 | 0.96 | — | — | |
| SCHEMBL4450040 | 0.96 | — | — | |
| SCHEMBL28822087 | 0.92 | — | — | |
| SCHEMBL2946496 | 0.92 | — | — | |
| Water SCHEMBL17584784 | 0.92 | ALDH1A1 (0.83) | — | |
| SCHEMBL5068224 | 0.92 | — | — | |
| SCHEMBL28995029 | 0.92 | — | — |
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-106659795-A | Liposomal mupirocin | 耶路撒冷希伯来大学伊森姆研究发展有限公司 | 2017-05-10 | — | — | CN | disclosed |