⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL890877 | 0.80 | — | — | |
| SCHEMBL27763216 | 0.77 | TP53 (0.38) | — | |
| SCHEMBL28074189 | 0.77 | TP53 (0.38) | — | |
| SCHEMBL890928 | 0.70 | — | — | |
| SCHEMBL178555 | 0.68 | — | — | |
| SCHEMBL4686073 | 0.68 | — | — | |
| SCHEMBL14224003 | 0.68 | — | — | |
| SCHEMBL14754136 | 0.68 | — | — | |
| SCHEMBL28260160 | 0.68 | — | — | |
| Pyrrole SCHEMBL28167023 | 0.68 | TP53 (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-106117181-A | PI3K inhibitor and preparation method thereof and the application in pharmacy | 复旦大学 | 2016-11-16 | — | — | CN | disclosed |