⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18290220 | 0.73 | SOD1 (0.33) | — | |
| SCHEMBL18290204 | 0.67 | POLB (0.30) | — | |
| SCHEMBL18290216 | 0.65 | HNF4A (0.32) | — | |
| SCHEMBL18290223 | 0.65 | SOD1 (0.34) | — | |
| SCHEMBL16006769 | 0.64 | KARS1 (0.43) | — | |
| SCHEMBL18290225 | 0.64 | FDPS (0.32) | — | |
| SCHEMBL18290245 | 0.61 | LPAR1 (0.32) | — | |
| SCHEMBL18290234 | 0.61 | SOD1 (0.36) | — | |
| SCHEMBL18290286 | 0.60 | — | — | |
| SCHEMBL18290371 | 0.58 | — | — |
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-2016192631-A1 | ABIETANE-TYPE DITERPENE COMPOUND HAVING LIPID-LOWERING ACTIVITY, METHOD FOR PREPARING SAME, AND USE OF SAME | 中国科学院上海药物研究所 | 2016-12-08 | — | — | WO | disclosed |