⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12775465 | 0.83 | LMNA (0.32) | — | |
| SCHEMBL918872 | 0.74 | NFKB1 (0.33) | — | |
| SCHEMBL3988933 | 0.74 | NFKB1 (0.33) | — | |
| SCHEMBL12132320 | 0.65 | — | — | |
| Beta-Phellandrene SCHEMBL1306441 | 0.65 | MET (0.31) | — | |
| Beta-Phellandrene SCHEMBL154149 | 0.65 | MET (0.31) | — | |
| Beta-Phellandrene SCHEMBL17629433 | 0.65 | MET (0.31) | — | |
| SCHEMBL23268474 | 0.63 | — | — | |
| SCHEMBL3192675 | 0.59 | NFKB1 (0.42) | — | |
| SCHEMBL5405420 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119678921-A | Cyclohexene derivative with attraction effect on carpiotosia borer as well as preparation method and application thereof | 华东理工大学 | 2025-03-25 | — | — | CN | disclosed |