⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18290362 | 0.75 | — | — | |
| SCHEMBL18290225 | 0.72 | FDPS (0.32) | — | |
| SCHEMBL18290232 | 0.70 | — | — | |
| SCHEMBL27832368 | 0.70 | THRA (0.39) | — | |
| SCHEMBL18290236 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL18290233 | 0.62 | — | — | |
| SCHEMBL18290201 | 0.61 | THRA (0.51) | — | |
| SCHEMBL28299901 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL18290221 | 0.56 | THRA (0.38) | — | |
| SCHEMBL18290231 | 0.53 | CASR (0.32) | — |
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 |