⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20876352 | 0.84 | PDE2A (0.30) | — | |
| SCHEMBL16301870 | 0.79 | — | — | |
| SCHEMBL13757687 | 0.79 | — | — | |
| SCHEMBL27693952 | 0.76 | — | — | |
| SCHEMBL13627295 | 0.75 | — | — | |
| SCHEMBL15373551 | 0.75 | — | — | |
| SCHEMBL27099545 | 0.75 | — | — | |
| SCHEMBL14063889 | 0.75 | — | — | |
| SCHEMBL28508549 | 0.75 | — | — | |
| SCHEMBL14286104 | 0.73 | — | — |
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-105111220-A | Substituted 1,4-dihydro-chromene [2, 3-b] pyrrole compound and preparation method thereof | UNIV ZHEJIANG | 2015-12-02 | — | — | CN | disclosed |