⚠ 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL5898602 | 1.00 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL2129377 | 1.00 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL734237 | 0.97 | ALDH1A1 (0.82) | — | |
| Ethyl Acetate SCHEMBL5510118 | 0.97 | ALDH1A1 (0.82) | — | |
| Ethyl Acetate SCHEMBL7846736 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL1597168 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL9199371 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL1272759 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL39633 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL6749269 | 0.97 | ALDH1A1 (0.93) | — |
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 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108896668-B | Detection method for buxus microphylla medicine | 贵州景诚制药有限公司 | 2021-06-11 | — | — | CN | claimed |
| CN-103852548-B | Detecting method for 3-hydroxyethyl adenine (3-HOEtA) in urine | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2015-06-24 | — | — | CN | claimed |
| CN-103869037-B | Application of liquid chromatography-tandem mass spectrometry to biological monitoring of 3-methyladenine in large-scale smoker samples | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2015-06-24 | — | — | CN | claimed |
| CN-103823010-B | Method for measuring 3-methyl adenine (3-MeA) in urine | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2015-04-08 | — | — | CN | claimed |
| CN-103823009-B | Application of liquid chromatography tandem mass spectrogram method in biological monitoring of 3-alkylation adenine in mass smokers | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2015-02-18 | — | — | CN | claimed |
| CN-103822991-B | Application of liquid chromatography tandem mass spectrometry method in biological monitoring on 3-ethyl adenines among samples of large-scale smokers | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2015-02-11 | — | — | CN | claimed |
| CN-103852547-B | Detecting method for 3-ethyl adenine (3-HOEtA) in urine | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2015-02-11 | — | — | CN | claimed |
| CN-103822988-B | Application of LC (liquid chromatogram) tandem mass spectrum method in biological monitoring of N3-(2-hydroxyethyl)-adenine in large-scale smoker crowd samples | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2015-01-07 | — | — | CN | claimed |
| CN-103808836-B | Determination method of 3-alkylated adenine DNA adducts in urine | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2015-01-07 | — | — | CN | claimed |
| CN-103869037-A | Application of liquid chromatography-tandem mass spectrometry to biological monitoring of 3-methyladenine in large-scale smoker samples | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2014-06-18 | — | — | CN | claimed |
| CN-103852548-A | Detecting method for 3-hydroxyethyl adenine (3-HOEtA) in urine | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2014-06-11 | — | — | CN | claimed |
| CN-103852547-A | Detecting method for 3-ethyl adenine (3-HOEtA) in urine | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2014-06-11 | — | — | CN | claimed |
| CN-103823010-A | Method for measuring 3-methyl adenine (3-MeA) in urine | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2014-05-28 | — | — | CN | claimed |
| CN-103822991-A | Application of liquid chromatography tandem mass spectrometry method in biological monitoring on 3-ethyl adenines among samples of large-scale smokers | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2014-05-28 | — | — | CN | claimed |
| CN-103823009-A | Application of liquid chromatography tandem mass spectrogram method in biological monitoring of 3-alkylation adenine in mass smokers | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2014-05-28 | — | — | CN | claimed |
| CN-103822988-A | Application of LC (liquid chromatogram) tandem mass spectrum method in biological monitoring of N3-(2-hydroxyethyl)-adenine in large-scale smoker crowd samples | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2014-05-28 | — | — | CN | claimed |
| CN-103808836-A | Determination method of 3-alkylated adenine DNA adducts in urine | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2014-05-21 | — | — | CN | claimed |
| CN-101439172-A | Chinese medicinal composition and preparation method thereof and quality control method | BEIJING ASIA EAST BIO PHARM CO (CN) | 2009-05-27 | — | — | CN | claimed |
| CN-1292779-C | Chinese traditional medicine preparation for treating paediatric acute tonsillitis | TAIYANGSHI TANGSHAN PHARMACEUT (CN) | 2007-01-03 | — | — | CN | claimed |
| CN-1759878-A | Chinese traditional medicine preparation for treating paediatric acute tonsillitis | TAIYANGSHI TANGSHAN PHARMACEUT (CN) | 2006-04-19 | — | — | CN | claimed |