⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10319138 | 0.60 | — | — | |
| SCHEMBL11231419 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL7112739 | 0.56 | — | — | |
| SCHEMBL19259219 | 0.56 | — | — | |
| SCHEMBL2360998 | 0.56 | — | — | |
| SCHEMBL19013149 | 0.56 | — | — | |
| SCHEMBL7638639 | 0.56 | — | — | |
| SCHEMBL6193934 | 0.54 | — | — | |
| SCHEMBL3980218 | 0.54 | — | — | |
| SCHEMBL2425581 | 0.53 | — | — |
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-121717675-A | Method for synthesizing compound with rotation-resistant 1, 3-diene structure through catalytic reduction coupling reaction of transition metal | 兰州大学 | 2026-03-24 | — | — | CN | disclosed |