⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10001 | 0.95 | — | — | |
| SCHEMBL28060459 | 0.95 | ALDH1A1 (1.00) | — | |
| SCHEMBL27722569 | 0.91 | — | — | |
| SCHEMBL11615492 | 0.91 | — | — | |
| SCHEMBL27584016 | 0.91 | — | — | |
| SCHEMBL6669487 | 0.91 | — | — | |
| Formaldehyde SCHEMBL2873057 | 0.87 | ALDH1A1 (0.83) | — | |
| Levulinic Acid SCHEMBL11315581 | 0.86 | — | — | |
| SCHEMBL9856678 | 0.84 | ALDH1A1 (0.77) | — | |
| SCHEMBL8155389 | 0.84 | ALDH1A1 (0.77) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6743748-B2 | OXIDIZING A COMPOUND HAVING AT LEAST ONE ETHYLENIC DOUBLE BOND; SILICONPOLYOXOMETALATE HAVING TWO DEFECTIVE AND/OR THREE DEFECTIVE STRUCTURE SITES | NIPPON SHOKUBAI CO., LTD. (JP) | 2004-06-01 | — | — | US | disclosed |
| EP-1380340-A2 | CATALYST FOR PRODUCING EPOXY COMPOUND AND PROCESS FOR PRODUCING EPOXY COMPOUND WITH THE SAME | Nippon Shokubai Co., Ltd. (JP) | 2004-01-14 | — | — | EP | disclosed |
| US-20030171604-A1 | Catalyst for producing epoxy compound and process for producing epoxy compounds with the same | NIPPON SHOKUBAI CO., LTD . (JP) | 2003-09-11 | — | — | US | disclosed |