⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12978557 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL19596060 | 0.73 | — | — | |
| SCHEMBL28548320 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL1064373 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL1611653 | 0.72 | CYP1A2 (0.32) | — | |
| Bromide SCHEMBL20555669 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL19504322 | 0.71 | APLNR (0.31) | — | |
| SCHEMBL28819435 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL29184986 | 0.70 | GABRA1 (0.34) | — | |
| SCHEMBL19504500 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104582922-A | Method for improving surface curing in digital flexographic printing plates | MACDERMID PRINTING SOLUTIONS | 2015-04-29 | — | — | CN | claimed |
| CN-109407470-A | The method for improving surface cure in digital flexographic printing version | 麦克德米德印刷方案股份有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-104582922-A | Method for improving surface curing in digital flexographic printing plates | MACDERMID PRINTING SOLUTIONS | 2015-04-29 | — | — | CN | disclosed |