⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1955819 | 0.88 | EPHX1 (0.31) | — | |
| SCHEMBL18155801 | 0.82 | — | — | |
| SCHEMBL1516363 | 0.81 | EPHX1 (0.33) | — | |
| SCHEMBL440173 | 0.76 | NPC1 (0.32) | — | |
| SCHEMBL30804780 | 0.75 | — | — | |
| SCHEMBL3885844 | 0.74 | EPHX1 (0.31) | — | |
| SCHEMBL1764512 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL2573724 | 0.73 | — | — | |
| SCHEMBL2572659 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL29276623 | 0.73 | TSHR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8197053-B2 | Active energy beam-curable ink and ink-jet recording method using active energy beam-curable ink | BROTHER KOGYO KABUSHIKI KAISHA (JP) | 2012-06-12 | — | — | US | disclosed |
| US-20100143606-A1 | Photocation-Curable Ink and Ink-Jet Recording Method by Using Photocation-Curable Ink | BROTHER KOGYO KABUSHIKI KAISHA (JP) | 2010-06-10 | — | — | US | disclosed |
| US-20100079568-A1 | Active Energy Beam-Curable Ink and Ink-Jet Recording Method Using Active Energy Beam-Curable Ink | BROTHER KOGYO KABUSHIKI KAISHA (JP) | 2010-04-01 | — | — | US | disclosed |