⚠ 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL354823 | 0.88 | GABRR1 (0.32) | — | |
| SCHEMBL3468223 | 0.82 | — | — | |
| Glycine SCHEMBL9853286 | 0.79 | — | — | |
| SCHEMBL29074104 | 0.79 | DNM1 (0.50) | — | |
| SCHEMBL21630068 | 0.75 | CA12 (0.56) | — | |
| SCHEMBL545888 | 0.69 | — | — | |
| SCHEMBL22981950 | 0.62 | HIF1A (0.43) | — | |
| Monoethanolamine SCHEMBL8841698 | 0.62 | ALDH1A1 (0.57) | — | |
| SCHEMBL97225 | 0.61 | — | — | |
| Hydrazine SCHEMBL3227329 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110034603-A1 | Polyacrylic acid (salt)-based water-absorbent resin and method for producing same | NIPPON SHOKUBAI CO., LTD. (JP) | 2011-02-10 | — | — | US | disclosed |
| EP-2270057-A1 | WATER-ABSORBABLE POLYACRYLIC ACID (SALT) RESIN AND PROCESS FOR PRODUCTION THEREOF | Nippon Shokubai Co., Ltd. (JP) | 2011-01-05 | — | — | EP | disclosed |