⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114562 | 0.96 | — | — | |
| SCHEMBL11121864 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL23149810 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL10945721 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL11198425 | 0.92 | — | — | |
| Ethane SCHEMBL8468937 | 0.92 | — | — | |
| SCHEMBL1697012 | 0.92 | — | — | |
| Methane SCHEMBL3149754 | 0.92 | — | — | |
| SCHEMBL31072219 | 0.92 | — | — | |
| SCHEMBL30594901 | 0.92 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104829473-A | Preparation method of double-longchain alkyl methyl carboxyl glycine betaine | UNIV JIANGNAN | 2015-08-12 | — | — | CN | claimed |
| CN-103044300-A | Method for synthesizing thiocarbohydrazide and thioglycolate by one-step method | HANGZHOU HI TECH FINE CHEMICAL CO LTD | 2013-04-17 | — | — | CN | claimed |
| CN-104822794-B | Heat-transfer fluid and its corrosion inhibitor formula used | 布拉斯通产品公司 | 2018-12-11 | — | — | CN | disclosed |
| CN-104829473-A | Preparation method of double-longchain alkyl methyl carboxyl glycine betaine | UNIV JIANGNAN | 2015-08-12 | — | — | CN | disclosed |
| CN-103044300-A | Method for synthesizing thiocarbohydrazide and thioglycolate by one-step method | HANGZHOU HI TECH FINE CHEMICAL CO LTD | 2013-04-17 | — | — | CN | disclosed |
| CN-1958566-A | Deodoration method in procedure for industrialized synthesizing chirality sulfenamide | LIANHUA CHEMISTRY CO LTD DALIA (CN) | 2007-05-09 | — | — | CN | disclosed |
| EP-1628964-A1 | 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL] -1-PIPERAZINYL] ETHOXY] ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION | Wockhardt Limited (IN) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004103982-A1 | 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL]-1-PIPERAZINYL]ETHOXY]ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION | WOCKHARDT LIMITED (US) | 2004-12-02 | — | — | WO | disclosed |