⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3818169 | 0.98 | ROCK2 (0.31) | — | |
| SCHEMBL29141887 | 0.96 | ROCK2 (0.30) | — | |
| SCHEMBL7108204 | 0.71 | — | — | |
| SCHEMBL1314189 | 0.69 | ROCK2 (0.33) | — | |
| SCHEMBL1315359 | 0.67 | ROCK2 (0.35) | — | |
| SCHEMBL301274 | 0.67 | ROCK2 (0.41) | — | |
| SCHEMBL4968876 | 0.67 | — | — | |
| SCHEMBL16892788 | 0.66 | ROCK2 (0.31) | — | |
| SCHEMBL54719 | 0.66 | ROCK2 (0.44) | — | |
| SCHEMBL301129 | 0.66 | ROCK2 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109563242-A | The manufacturing method of high-molecular compound | 住友化学株式会社 | 2019-04-02 | — | — | CN | disclosed |
| CN-104540871-B | The preparation method of aromatic compound | 住友化学株式会社 | 2016-08-24 | — | — | CN | disclosed |