⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2916453 | 0.70 | — | — | |
| SCHEMBL2918272 | 0.67 | — | — | |
| SCHEMBL1888000 | 0.65 | GLI1 (0.37) | — | |
| SCHEMBL2440704 | 0.65 | GLI1 (0.37) | — | |
| SCHEMBL2917598 | 0.64 | GLI1 (0.36) | — | |
| SCHEMBL6735237 | 0.61 | ALDH1A1 (0.42) | — | |
| SCHEMBL21545609 | 0.61 | GLI1 (0.41) | — | |
| SCHEMBL11826262 | 0.61 | ALDH1A1 (0.42) | — | |
| SCHEMBL197080 | 0.61 | — | — | |
| SCHEMBL2329823 | 0.61 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0863131-B1 | Acrylic monomers, polymers thereof and crosslinking compositions | DAINIPPON INK & CHEMICALS (JP) | 2000-05-17 | — | — | EP | disclosed |
| EP-0863131-A1 | Acrylic monomers, polymers thereof and crosslinking compositions | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1998-09-09 | — | — | EP | disclosed |