⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9354627 | 0.72 | — | — | |
| SCHEMBL11300588 | 0.72 | MAPT (0.31) | — | |
| SCHEMBL30612952 | 0.64 | — | — | |
| SCHEMBL7816682 | 0.62 | — | — | |
| SCHEMBL10510804 | 0.61 | — | — | |
| SCHEMBL8906209 | 0.61 | — | — | |
| SCHEMBL9165798 | 0.61 | — | — | |
| SCHEMBL2141990 | 0.59 | — | — | |
| SCHEMBL4956 | 0.59 | — | — | |
| SCHEMBL3065946 | 0.59 | — | — |
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-116941625-A | Application of thiothiazolidine ketone compound as trehalase inhibitor | 中国农业大学 | 2023-10-27 | — | — | CN | disclosed |