⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28118619 | 0.97 | — | — | |
| SCHEMBL6255690 | 0.78 | — | — | |
| SCHEMBL1934300 | 0.73 | — | — | |
| SCHEMBL2378204 | 0.73 | — | — | |
| SCHEMBL671159 | 0.73 | — | — | |
| SCHEMBL6255006 | 0.72 | MCL1 (0.37) | — | |
| SCHEMBL2746197 | 0.72 | TDP1 (0.31) | — | |
| SCHEMBL1937504 | 0.71 | — | — | |
| SCHEMBL10880153 | 0.71 | — | — | |
| SCHEMBL9438659 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1616581-B1 | Water absorbent resin composition and production method thereof | NIPPON CATALYTIC CHEM IND (JP) | 2009-12-23 | — | — | EP | disclosed |
| CN-100372893-C | Water absorbent resin composition and production method thereof | NIPPON CATALYSTS CO LTD (JP) | 2008-03-05 | — | — | CN | disclosed |
| EP-1616581-A1 | Water absorbent resin composition and production method thereof | Nippon Shokubai Co., Ltd. (JP) | 2006-01-18 | — | — | EP | disclosed |
| US-20050288182-A1 | Water absorbent resin composition and production method thereof | NIPPON SHOKUBAI CO., LTD (JP) | 2005-12-29 | — | — | US | disclosed |
| CN-1709980-A | Water absorbent resin composition and production method thereof | NIPPON CATALYSTS CO LTD (JP) | 2005-12-21 | — | — | CN | disclosed |