⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14749503 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL14749212 | 0.75 | — | — | |
| SCHEMBL13162491 | 0.73 | — | — | |
| SCHEMBL13092505 | 0.69 | — | — | |
| SCHEMBL16710200 | 0.69 | — | — | |
| SCHEMBL27980370 | 0.67 | — | — | |
| SCHEMBL18030460 | 0.67 | — | — | |
| SCHEMBL352782 | 0.67 | — | — | |
| SCHEMBL87087 | 0.66 | — | — | |
| SCHEMBL11597745 | 0.65 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013029479-A1 | MYCOPHENOLIC ACID DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | 中国科学院上海药物研究所 (CN) | 2013-03-07 | — | — | WO | disclosed |