⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3074293 | 0.80 | — | — | |
| SCHEMBL8102476 | 0.80 | — | — | |
| SCHEMBL516083 | 0.77 | CES2 (0.50) | — | |
| SCHEMBL468077 | 0.75 | — | — | |
| SCHEMBL355263 | 0.74 | — | — | |
| SCHEMBL31074229 | 0.74 | CES2 (0.56) | — | |
| SCHEMBL20997867 | 0.72 | HDAC1 (0.45) | — | |
| SCHEMBL1650092 | 0.72 | — | — | |
| SCHEMBL22056640 | 0.70 | CTSL (0.72) | — | |
| SCHEMBL2906402 | 0.70 | — | — |
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-111995620-A | Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same | 重庆医科大学 | 2020-11-27 | — | — | CN | disclosed |