⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28774241 | 0.86 | — | — | |
| SCHEMBL27593412 | 0.86 | — | — | |
| SCHEMBL27665021 | 0.85 | — | — | |
| Ethylene Glycol SCHEMBL28802734 | 0.82 | — | — | |
| SCHEMBL28806049 | 0.82 | — | — | |
| SCHEMBL28334697 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL28618010 | 0.80 | — | — | |
| SCHEMBL27514529 | 0.80 | — | — | |
| SCHEMBL28992166 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL27643756 | 0.76 | TSHR (0.33) | — |
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-104820342-B | Photosensitive resin composition for light-shielding film and cured product thereof | 日铁化学材料株式会社 | 2020-02-14 | — | — | CN | disclosed |
| CN-104423157-B | Curable composition | 东京应化工业株式会社 | 2020-01-24 | — | — | CN | disclosed |