⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28085602 | 0.92 | — | — | |
| SCHEMBL374742 | 0.86 | — | — | |
| SCHEMBL374571 | 0.76 | — | — | |
| SCHEMBL19816456 | 0.76 | — | — | |
| SCHEMBL28085604 | 0.75 | — | — | |
| SCHEMBL21793946 | 0.75 | — | — | |
| SCHEMBL31142103 | 0.72 | — | — | |
| SCHEMBL5053723 | 0.72 | — | — | |
| SCHEMBL29269126 | 0.72 | — | — | |
| SCHEMBL7631811 | 0.72 | ALDH1A1 (0.32) | — |
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-107141313-A | Transparent oxide electrode and its production method that surface modifier, surface for transparent oxide electrode are modified | 信越化学工业株式会社 | 2017-09-08 | — | — | CN | disclosed |