⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7360964 | 0.79 | — | — | |
| SCHEMBL510219 | 0.76 | — | — | |
| SCHEMBL28114894 | 0.76 | — | — | |
| SCHEMBL308758 | 0.76 | — | — | |
| SCHEMBL9819155 | 0.74 | — | — | |
| SCHEMBL8588639 | 0.74 | THRB (0.38) | — | |
| SCHEMBL669753 | 0.73 | — | — | |
| SCHEMBL268481 | 0.73 | — | — | |
| SCHEMBL12501794 | 0.73 | — | — | |
| SCHEMBL8078557 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1810966-B1 | ALKOXYPROPYL ISOTHIAZOLINONE AND PREPARATION METHOD AND USE THEREOF | OCEAN UNIV CHINA (CN) | 2012-04-25 | — | — | EP | claimed |
| US-7442240-B2 | Alkoxylpropylisothiazolinone and preparation method and use thereof | OCEAN UNIVERSITY OF CHINA (CN) | 2008-10-28 | — | — | US | claimed |
| US-20070256596-A1 | Alkoxylpropylisothiazolinone and Preparation Method and Use Thereof | OCEAN UNIVERSITY OF CHINA (CN) | 2007-11-08 | — | — | US | claimed |
| EP-1810966-A1 | ALKOXYPROPYL ISOTHIAZOLINONE AND PREPARATION METHOD AND USE THEREOF | Ocean University of China (CN) | 2007-07-25 | — | — | EP | claimed |
| EP-1810966-B1 | ALKOXYPROPYL ISOTHIAZOLINONE AND PREPARATION METHOD AND USE THEREOF | OCEAN UNIV CHINA (CN) | 2012-04-25 | — | — | EP | disclosed |
| US-7442240-B2 | Alkoxylpropylisothiazolinone and preparation method and use thereof | OCEAN UNIVERSITY OF CHINA (CN) | 2008-10-28 | — | — | US | disclosed |
| US-20070256596-A1 | Alkoxylpropylisothiazolinone and Preparation Method and Use Thereof | OCEAN UNIVERSITY OF CHINA (CN) | 2007-11-08 | — | — | US | disclosed |
| EP-1810966-A1 | ALKOXYPROPYL ISOTHIAZOLINONE AND PREPARATION METHOD AND USE THEREOF | Ocean University of China (CN) | 2007-07-25 | — | — | EP | disclosed |