⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3360271 | 0.81 | CYP2D6 (0.31) | — | |
| SCHEMBL18803276 | 0.80 | GRIK1 (0.36) | — | |
| SCHEMBL7560375 | 0.80 | GRIK1 (0.36) | — | |
| SCHEMBL5138422 | 0.80 | GRIK1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL6313567 | 0.78 | GRIK1 (0.35) | — | |
| SCHEMBL9483387 | 0.78 | — | — | |
| SCHEMBL7558899 | 0.76 | EP300 (0.42) | — | |
| SCHEMBL7558903 | 0.76 | EP300 (0.42) | — | |
| SCHEMBL1848365 | 0.75 | — | — | |
| SCHEMBL3680666 | 0.75 | EP300 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0755951-B1 | Acrylic ester derivative and producing process of the same and acrylic-ester-based polymer | NIPPON CATALYTIC CHEM IND (JP) | 2003-02-05 | — | — | EP | disclosed |
| US-5783678-A | HYDROPHILIC | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-07-21 | — | — | US | disclosed |
| EP-0755951-A2 | Acrylic ester derivative and producing process of the same and acrylic-ester-based polymer | NIPPON SHOKUBAI CO., LTD. (JP) | 1997-01-29 | — | — | EP | disclosed |