⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1117851 | 0.70 | — | — | |
| SCHEMBL1117852 | 0.70 | — | — | |
| SCHEMBL7151091 | 0.68 | BCAT2 (0.45) | — | |
| SCHEMBL30707557 | 0.60 | — | — | |
| SCHEMBL531906 | 0.60 | — | — | |
| SCHEMBL31118071 | 0.60 | — | — | |
| Water SCHEMBL27527439 | 0.58 | — | — | |
| SCHEMBL3969262 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL27880977 | 0.58 | — | — | |
| Hydrazine SCHEMBL4391026 | 0.58 | — | — |
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-116635378-A | Bicyclic 1, 4-diazacycloheptanones and therapeutic uses thereof | 赛特凯恩蒂克公司 | 2023-08-22 | — | — | CN | disclosed |