⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11312167 | 1.00 | — | — | |
| SCHEMBL28206089 | 0.81 | — | — | |
| SCHEMBL11584789 | 0.80 | — | — | |
| SCHEMBL16827210 | 0.76 | — | — | |
| SCHEMBL1404426 | 0.75 | — | — | |
| SCHEMBL362262 | 0.73 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL28873104 | 0.71 | — | — | |
| SCHEMBL18256605 | 0.71 | — | — | |
| SCHEMBL29166286 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL28240655 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125916-A1 | WATER ABSORBENT RESIN PRODUCTION METHOD AND USAGE THEREOF | Nippon Shokubai Co., Ltd. (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008114847-A1 | WATER ABSORBENT RESIN PRODUCTION METHOD AND USAGE THEREOF | NIPPON SHOKUBAI CO., LTD. (JP) | 2008-09-25 | — | — | WO | disclosed |