⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL243840 | 0.87 | — | — | |
| SCHEMBL16660189 | 0.67 | — | — | |
| Pyridine SCHEMBL28866212 | 0.66 | TSHR (0.43) | — | |
| SCHEMBL20342933 | 0.65 | — | — | |
| Dimethylamine SCHEMBL28568527 | 0.62 | — | — | |
| SCHEMBL539827 | 0.62 | — | — | |
| SCHEMBL1936 | 0.58 | — | — | |
| SCHEMBL29230039 | 0.58 | — | — | |
| Water SCHEMBL31612958 | 0.58 | — | — | |
| SCHEMBL27913328 | 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-106449984-A | Stable large-area perovskite solar cell and preparation method thereof | 天津市职业大学 | 2017-02-22 | — | — | CN | disclosed |