⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3080795 | 0.73 | HMGCR (0.36) | — | |
| SCHEMBL28667481 | 0.73 | HMGCR (0.31) | — | |
| SCHEMBL6915530 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL6366537 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL5491522 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL2100269 | 0.70 | TET2 (0.35) | — | |
| SCHEMBL122716 | 0.67 | — | — | |
| SCHEMBL15525764 | 0.66 | — | — | |
| SCHEMBL10797003 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL23929372 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5889074-A | COATING WITH CURABLE POLYMER AND SILANE COUPLING AGENT | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1999-03-30 | — | — | US | disclosed |
| US-5717004-A | COMPRISES ATLEAST TWO ACRYLOYL GROUP CONTAINING COMPOUNDS WHEREIN THE ACRYLOYL GROUP IS FLUOROACRYLOYL, METHACRYLOYL OR ACRYLOYL; HIGH MECHANICAL STRENGTH | DAINIPPON INK & CHEMICALS, INC. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0435354-B1 | Active energy ray-curable composition and applicable method | DAINIPPON INK & CHEMICALS (JP) | 1995-09-06 | — | — | EP | disclosed |
| EP-0435354-A2 | Active energy ray-curable composition and applicable method | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1991-07-03 | — | — | EP | disclosed |