⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31571680 | 0.85 | CACNA1G (0.31) | — | |
| SCHEMBL20089274 | 0.64 | BCL2 (0.30) | — | |
| SCHEMBL29784877 | 0.63 | CACNA1G (0.45) | — | |
| SCHEMBL21291505 | 0.62 | EP300 (0.40) | — | |
| Taiwaniaquinol D SCHEMBL18105235 | 0.62 | AKR1B1 (0.35) | — | |
| Taiwaniaquinol D SCHEMBL31237203 | 0.62 | AKR1B1 (0.35) | — | |
| SCHEMBL22472964 | 0.61 | CYP19A1 (0.35) | — | |
| SCHEMBL3186292 | 0.57 | SOD1 (0.43) | — | |
| Royleanone SCHEMBL21291506 | 0.57 | CYP3A4 (0.44) | — | |
| SCHEMBL22861898 | 0.57 | EP300 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-121774254-A | Application of diterpenoid derivative in preparing tobacco product essence and spice | 江苏清枫生物科技有限公司 | 2026-04-03 | — | — | CN | disclosed |
| WO-2024189607-A1 | METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT | DIDENKO KIRILL (MX) | 2024-09-19 | — | — | WO | disclosed |