⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33690 | 0.82 | — | — | |
| SCHEMBL14675185 | 0.74 | PTGS1 (0.31) | — | |
| SCHEMBL1469906 | 0.74 | PTGS1 (0.31) | — | |
| SCHEMBL3621930 | 0.74 | PTGS1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL9636713 | 0.73 | — | — | |
| SCHEMBL247843 | 0.72 | KDM4E (0.37) | — | |
| SCHEMBL148752 | 0.72 | PTGS1 (0.30) | — | |
| SCHEMBL599525 | 0.72 | KDM4E (0.37) | — | |
| SCHEMBL1924255 | 0.72 | PTGS1 (0.30) | — | |
| SCHEMBL30828327 | 0.72 | HMGCR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0529910-B1 | Biodegradable hydrophilic crosslinked polymer, process for producing it, and uses thereof | NIPPON CATALYTIC CHEM IND (JP) | 1996-03-13 | — | — | EP | disclosed |
| EP-0529910-A2 | Biodegradable hydrophilic crosslinked polymer, process for producing it, and uses thereof | NIPPON SHOKUBAI CO., LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| EP-0448717-A1 | CEMENT ADMIXTURE, PRODUCTION THEREOF, AND CEMENT COMPOSITION | NIPPON SHOKUBAI CO., LTD. (JP) | 1991-10-02 | — | — | EP | disclosed |