⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5697061 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL19032547 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL248457 | 0.75 | ALDH1A1 (0.33) | — | |
| Methacrylic Acid SCHEMBL6435160 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL8156080 | 0.73 | ALDH1A1 (0.31) | — | |
| Methacrylic Acid SCHEMBL3699952 | 0.72 | CYP1A2 (0.39) | — | |
| Methacrylic Acid SCHEMBL4128851 | 0.72 | CYP1A2 (0.39) | — | |
| Methacrylic Acid SCHEMBL4129350 | 0.72 | CYP1A2 (0.39) | — | |
| Methacrylic Acid SCHEMBL130200 | 0.72 | CYP1A2 (0.39) | — | |
| Methacrylic Acid SCHEMBL128831 | 0.72 | CYP1A2 (0.39) | — |
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-8987344-B2 | Hardcoat composition | MITSUI CHEMICALS, INC. (JP) | 2015-03-24 | — | — | US | disclosed |
| EP-2108027-B1 | HARDCOAT COMPOSITION | MITSUI CHEMICALS INC (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20100029804-A1 | HARDCOAT COMPOSITION | MITSUI CHEMICALS, INC (JP) | 2010-02-04 | — | — | US | disclosed |