⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14889189 | 0.78 | — | — | |
| SCHEMBL3093440 | 0.78 | TSHR (0.53) | — | |
| Ethylene SCHEMBL812649 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL59459 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL15407577 | 0.75 | — | — | |
| SCHEMBL1801328 | 0.75 | ADRA2A (0.42) | — | |
| SCHEMBL3519251 | 0.75 | — | — | |
| SCHEMBL27140800 | 0.74 | — | — | |
| SCHEMBL11224122 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL8069406 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113825809-B | Printing ink, method for producing printed matter using same, and printed matter | 东丽株式会社 | 2024-05-31 | — | — | CN | disclosed |
| CN-117999297-A | Resin, active energy ray-curable composition, active energy ray-curable ink, overcoating varnish, paint, adhesive, photoresist, and method for producing printed matter | 东丽株式会社 | 2024-05-07 | — | — | CN | disclosed |
| CN-113825810-B | Active energy ray-curable lithographic ink and method for producing printed matter using same | 东丽株式会社 | 2023-12-01 | — | — | CN | disclosed |
| CN-116745370-A | Active energy ray-curable lithographic ink set, method for producing printed matter, and active energy ray-curable lithographic ink | 东丽株式会社 | 2023-09-12 | — | — | CN | disclosed |
| CN-113557144-B | Method for manufacturing printed matter | 东丽株式会社 | 2022-11-01 | — | — | CN | disclosed |
| CN-113825810-A | Active energy ray-curable ink for lithographic printing, and method for producing printed matter using same | 东丽株式会社 | 2021-12-21 | — | — | CN | disclosed |
| CN-113825809-A | Printing ink, method for producing printed matter using same, and printed matter | 东丽株式会社 | 2021-12-21 | — | — | CN | disclosed |
| CN-113557144-A | Method for manufacturing printed matter | 东丽株式会社 | 2021-10-26 | — | — | CN | disclosed |
| WO-2020235556-A1 | ACTINIC-RAY-CURABLE LITHOGRAPHIC PRINTING INK AND METHOD FOR PRODUCING PRINT USING SAME | 東レ株式会社 (JP) | 2020-11-26 | — | — | WO | disclosed |