⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3401 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL28635407 | 0.86 | — | — | |
| SCHEMBL4237162 | 0.86 | — | — | |
| SCHEMBL28932 | 0.77 | — | — | |
| SCHEMBL9387476 | 0.76 | — | — | |
| SCHEMBL10617265 | 0.76 | — | — | |
| SCHEMBL757022 | 0.71 | — | — | |
| SCHEMBL28545978 | 0.68 | — | — | |
| SCHEMBL25241620 | 0.67 | — | — | |
| SCHEMBL8209676 | 0.67 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117320685-A | Composition for skin protection comprising an antimicrobial agent and a (bio) -alkanediol | 西姆莱斯股份公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-116634990-A | Compositions comprising one or more (bio) -alkanediols with active ingredients | 西姆莱斯股份公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-116615172-A | Composition comprising a natural polymer and one or more (bio) alkanediols | 西姆莱斯股份公司 | 2023-08-18 | — | — | CN | disclosed |
| EP-2319803-B1 | ALUMINUM HYDROXIDE GEL PARTICLES AND PROCESS FOR PRODUCTION OF SAME | KYOWA CHEM IND CO LTD (JP) | 2013-10-09 | — | — | EP | disclosed |
| EP-2563818-A1 | CASSIA DERIVATIVES | Lubrizol Advanced Materials, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2012170171-A1 | CASSIA DERIVATIVES | LUBRIZOL ADVANCED MATERIALS, INC. (US) | 2012-12-13 | — | — | WO | disclosed |
| EP-2513151-A1 | CASSIA DERIVATIVES | Lubrizol Advanced Materials, Inc. (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011137218-A1 | CASSIA DERIVATIVES | LUBRIZOL ADVANCED MATERIALS, INC. (US) | 2011-11-03 | — | — | WO | disclosed |
| WO-2011081907-A1 | CASSIA DERIVATIVES | LUBRIZOL ADVANCED MATERIALS, INC. (US) | 2011-07-07 | — | — | WO | disclosed |
| EP-2319803-A1 | ALUMINUM HYDROXIDE GEL PARTICLES AND PROCESS FOR PRODUCTION OF SAME | KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) | 2011-05-11 | — | — | EP | disclosed |
| WO-2009007166-A1 | WASHING OR CLEANING COMPOSITION COMPRISING SURFACTANTS BASED ON RENEWABLE RAW MATERIALS | HENKEL AG & CO. KGAA (DE) | 2009-01-15 | — | — | WO | disclosed |
| WO-2003038022-A1 | AGENTS CONTAINING BETAINE ESTERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-05-08 | — | — | WO | disclosed |