⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19300404 | 1.00 | — | — | |
| SCHEMBL21137591 | 0.86 | LMNA (0.43) | — | |
| SCHEMBL21137557 | 0.86 | LMNA (0.43) | — | |
| SCHEMBL3347883 | 0.86 | LMNA (0.43) | — | |
| SCHEMBL24554829 | 0.81 | KDM4E (0.52) | — | |
| SCHEMBL25933296 | 0.81 | — | — | |
| SCHEMBL25933221 | 0.81 | LMNA (0.43) | — | |
| SCHEMBL28342927 | 0.81 | ALDH1A1 (0.55) | — | |
| SCHEMBL16268137 | 0.78 | FAAH (0.41) | — | |
| SCHEMBL16268517 | 0.78 | FAAH (0.41) | — |
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-110642737-B | Preparation method of amide-substituted (E, E) -configuration branched conjugated diene derivative | 杭州师范大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-110642737-A | Amide-substituted (E, E) -configuration branched conjugated diene derivative and preparation method thereof | 杭州师范大学 | 2020-01-03 | — | — | CN | disclosed |