⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19133264 | 0.98 | — | — | |
| SCHEMBL5038322 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL4909539 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL4916655 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL4915543 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL13815124 | 0.84 | EPHX1 (0.42) | — | |
| SCHEMBL10000679 | 0.82 | EPHX1 (0.46) | — | |
| SCHEMBL10045236 | 0.80 | CYP2C19 (0.46) | — | |
| SCHEMBL4917435 | 0.79 | CA12 (0.50) | — | |
| SCHEMBL19836687 | 0.79 | LMNA (0.30) | — |
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-2018097403-A1 | CONJUGATE OF ANTICANCER DRUG AND DIOSGENIN, PREPARATION METHOD THEREFOR, AND ANTICANCER COMPOSITION CONTAINING SAME | 전남대학교산학협력단 | 2018-05-31 | — | — | WO | disclosed |