⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27474420 | 0.71 | — | — | |
| SCHEMBL27748658 | 0.68 | — | — | |
| SCHEMBL27641239 | 0.67 | — | — | |
| SCHEMBL27639984 | 0.66 | — | — | |
| SCHEMBL2869181 | 0.57 | — | — | |
| SCHEMBL41782 | 0.57 | — | — | |
| SCHEMBL4835524 | 0.51 | — | — | |
| SCHEMBL1070742 | 0.51 | — | — | |
| SCHEMBL11085045 | 0.51 | — | — | |
| SCHEMBL11606686 | 0.51 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104961705-B | Process for synthesizing 4,5-dichloro-2-methylisothiazolinone by one-pot method | 大连百傲化学股份有限公司 | 2017-05-24 | — | — | CN | claimed |
| CN-104961705-A | Process for synthesizing 4,5-dichloro-2-methylisothiazolinone by one-pot method | DALIAN BIO CHEM SHARE CO LTD | 2015-10-07 | — | — | CN | claimed |
| EP-4415540-A1 | METHOD FOR TREATING TECHNICAL PRODUCTS | THOR GmbH (DE) | 2024-08-21 | — | — | EP | disclosed |
| WO-2023061620-A1 | METHOD FOR TREATING TECHNICAL PRODUCTS | THOR GMBH (DE) | 2023-04-20 | — | — | WO | disclosed |
| CN-109135943-A | Chinese herbal medicine type cabin elevator control panel detergent and preparation method thereof | 安徽师范大学 | 2019-01-04 | — | — | CN | disclosed |
| CN-104961705-B | Process for synthesizing 4,5-dichloro-2-methylisothiazolinone by one-pot method | 大连百傲化学股份有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-106604637-A | Products preserved with 5-chloro-2-methyl-4-isothiazolin-3-one | 托尔有限公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-105432611-A | Bactericidal synergist special for non-oxidizing bactericide Kathon | WEIHAI XIANGYU TECH CO LTD | 2016-03-30 | — | — | CN | disclosed |
| CN-104961705-A | Process for synthesizing 4,5-dichloro-2-methylisothiazolinone by one-pot method | DALIAN BIO CHEM SHARE CO LTD | 2015-10-07 | — | — | CN | disclosed |
| WO-2013064599-A1 | HAIR STYLING COMPOSITION | UNILEVER PLC (GB) | 2013-05-10 | — | — | WO | disclosed |
| WO-2013064596-A1 | HAIR STYLING COMPOSITION | UNILEVER PLC (GB) | 2013-05-10 | — | — | WO | disclosed |