⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13219673 | 0.94 | TSHR (0.31) | — | |
| SCHEMBL214325 | 0.93 | TSHR (0.32) | — | |
| SCHEMBL13294319 | 0.88 | — | — | |
| SCHEMBL13219664 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL213172 | 0.87 | TSHR (0.34) | — | |
| SCHEMBL21555659 | 0.86 | EPHX1 (0.31) | — | |
| SCHEMBL213181 | 0.85 | MEN1 (0.32) | — | |
| SCHEMBL14168875 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL2830527 | 0.85 | TSHR (0.33) | — | |
| SCHEMBL2830458 | 0.85 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2019179460-A1 | RADIATION-CURABLE GRAVURE INK | 常州格林感光新材料有限公司 | 2019-09-26 | — | — | WO | disclosed |
| WO-2019179461-A1 | RADIATION CURABLE COMPOSITION CONTAINING MODIFIED PIGMENT AND USE THEREOF | 常州格林感光新材料有限公司 | 2019-09-26 | — | — | WO | disclosed |