⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3881002 | 1.00 | — | — | |
| Water SCHEMBL27992413 | 1.00 | OR51E2 (0.93) | — | |
| SCHEMBL9251246 | 1.00 | OR51E2 (0.93) | — | |
| SCHEMBL9275188 | 0.97 | — | — | |
| SCHEMBL2905876 | 0.97 | — | — | |
| Water SCHEMBL21753470 | 0.97 | — | — | |
| Water SCHEMBL10757023 | 0.97 | — | — | |
| SCHEMBL29278852 | 0.97 | OR51E2 (1.00) | — | |
| SCHEMBL1765577 | 0.97 | OR51E2 (1.00) | — | |
| SCHEMBL38462 | 0.97 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103141508-A | Low-corrosivity oxidation potential sterilized water and preparation method thereof | SHAO PENGFEI | 2013-06-12 | — | — | CN | disclosed |
| CN-1252991-A | Bath articles | WANRONG SABEIQI XINGTAI DAILY (CN) | 2000-05-17 | — | — | CN | disclosed |
| US-4996356-A | Biodegradable surfactant | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 1991-02-26 | — | — | US | disclosed |
| EP-0291207-A1 | Carboxylic acids and methods of preparing the same | SANYO CHEMICAL INDUSTRIES LTD. (JP) | 1988-11-17 | — | — | EP | disclosed |