⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL3844858 | 0.96 | — | — | |
| Methanesulfonamide SCHEMBL5314532 | 0.80 | CA1 (0.47) | — | |
| SCHEMBL4958964 | 0.78 | — | — | |
| SCHEMBL13249594 | 0.76 | — | — | |
| Glycine SCHEMBL2476160 | 0.76 | GLRA1 (0.53) | — | |
| SCHEMBL1668401 | 0.72 | — | — | |
| SCHEMBL17177648 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL18987820 | 0.70 | — | — | |
| SCHEMBL10339840 | 0.70 | — | — | |
| SCHEMBL9998063 | 0.70 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507181-B | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-03-26 | — | — | CN | claimed |
| CN-117736177-A | Propionic acid compound containing (R) -5-substituted tetrahydroisoquinoline, preparation method and medical application thereof | 中国医学科学院药物研究所 | 2024-03-22 | — | — | CN | claimed |
| CN-114507181-A | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | claimed |
| CN-101160684-A | Novel redox shuttle compounds for overcharge protection of lithium batteries | UNIV CHICAGO (US) | 2008-04-09 | — | — | CN | claimed |
| CN-114507181-B | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-03-26 | — | — | CN | disclosed |
| CN-117736177-A | Propionic acid compound containing (R) -5-substituted tetrahydroisoquinoline, preparation method and medical application thereof | 中国医学科学院药物研究所 | 2024-03-22 | — | — | CN | disclosed |
| CN-114507181-A | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | disclosed |
| EP-2738191-B1 | AMPHIPHILIC MACROMOLECULE AND USE | BEIJING JUNLUN RUNZHONG SCIENCE&TECHNOLOGY CO LTD (CN) | 2017-08-09 | — | — | EP | disclosed |
| CN-103553886-A | Polyether-functionalized redox shuttle additives for lithium ion batteries | UCHICAGO ARGONNE LLC | 2014-02-05 | — | — | CN | disclosed |
| US-8404673-B2 | Carbocyclic GlyT1 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| CN-102918701-A | Polyether functionalized redox shuttle additives for lithium ion batteries | UCHICAGO ARGONNE LLC | 2013-02-06 | — | — | CN | disclosed |
| US-20120022042-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | KOLCZEWSKI SABINE (DE) | 2012-01-26 | — | — | US | disclosed |
| US-8080541-B2 | Carbocyclic GlyT-1 receptor antagonists | HOFFMAN-LA ROCHE INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20110053904-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | US | disclosed |
| CN-101160684-A | Novel redox shuttle compounds for overcharge protection of lithium batteries | UNIV CHICAGO (US) | 2008-04-09 | — | — | CN | disclosed |
| CN-1580044-A | 7-tert-butoxy-carbonyl-amino-5-azaspiro[2,4] heptane and its pure stereo-isomer preparing method | XINCHUANG MEDICINE SCIENCE TEC (CN) | 2005-02-16 | — | — | CN | disclosed |
| CN-1580055-A | Quinolone carboxylic acid derivatives and their salts | XINCHUANG MEDICINE SCIENCE TEC (CN) | 2005-02-16 | — | — | CN | disclosed |