⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4324237 | 0.85 | — | — | |
| SCHEMBL15604591 | 0.80 | — | — | |
| SCHEMBL5195388 | 0.75 | ENPEP (0.47) | — | |
| SCHEMBL509933 | 0.74 | — | — | |
| SCHEMBL12027144 | 0.73 | — | — | |
| SCHEMBL1926199 | 0.73 | — | — | |
| SCHEMBL1948883 | 0.72 | — | — | |
| SCHEMBL1415545 | 0.72 | — | — | |
| SCHEMBL1948881 | 0.72 | — | — | |
| SCHEMBL16152166 | 0.72 | — | — |
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-106117193-B | New Hete rocyclic derivatives and its application in neurogenic disease treatment | 诺华股份有限公司 | 2019-09-13 | — | — | CN | disclosed |