⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8768481 | 0.78 | CYP1A2 (0.33) | — | |
| SCHEMBL7964135 | 0.61 | BRD4 (0.35) | — | |
| SCHEMBL25101259 | 0.60 | NPSR1 (0.33) | — | |
| SCHEMBL349606 | 0.60 | KDM4E (0.43) | — | |
| SCHEMBL6400962 | 0.57 | — | — | |
| SCHEMBL825560 | 0.57 | BRD4 (0.32) | — | |
| SCHEMBL6626694 | 0.55 | — | — | |
| SCHEMBL25430103 | 0.55 | ALDH1A1 (0.41) | — | |
| SCHEMBL8696410 | 0.52 | ATAD2 (0.38) | — | |
| SCHEMBL2714078 | 0.52 | FEN1 (0.39) | — |
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-114113072-A | Composite indicator, quick detection test paper and method for detecting freshness of pork | 南昌师范学院 | 2022-03-01 | — | — | CN | disclosed |