⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL399794 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL15440386 | 0.68 | — | — | |
| SCHEMBL512265 | 0.68 | — | — | |
| SCHEMBL9474069 | 0.68 | — | — | |
| SCHEMBL3481468 | 0.67 | — | — | |
| SCHEMBL235048 | 0.67 | — | — | |
| SCHEMBL27875542 | 0.67 | — | — | |
| SCHEMBL58777 | 0.67 | — | — | |
| SCHEMBL21933252 | 0.63 | — | — | |
| Propane SCHEMBL1800969 | 0.63 | — | — |
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-104141112-B | The mixed layer in coating on electronic device or other articles | 普林斯顿大学理事会 | 2017-09-19 | — | — | CN | disclosed |