⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11551386 | 0.76 | HCAR2 (0.30) | — | |
| SCHEMBL745510 | 0.73 | — | — | |
| SCHEMBL1145817 | 0.72 | — | — | |
| SCHEMBL790735 | 0.70 | — | — | |
| SCHEMBL3709126 | 0.70 | CYP11B1 (0.33) | — | |
| SCHEMBL15613751 | 0.70 | LMNA (0.48) | — | |
| SCHEMBL21791400 | 0.68 | LMNA (0.42) | — | |
| SCHEMBL14247000 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL15416248 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL15416249 | 0.67 | LMNA (0.38) | — |
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-114621209-A | 1,2, 3-thiadiazole acetonitrile derivatives, and preparation method and application thereof | 南开大学 | 2022-06-14 | — | — | CN | disclosed |