⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8586809 | 0.95 | KDM4E (0.39) | — | |
| Ethane SCHEMBL21964143 | 0.95 | — | — | |
| Acetonitrile SCHEMBL28880635 | 0.87 | PRKACA (0.31) | — | |
| SCHEMBL15727074 | 0.84 | — | — | |
| Propionaldehyde SCHEMBL27804250 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL4457784 | 0.78 | — | — | |
| SCHEMBL20417701 | 0.76 | — | — | |
| SCHEMBL31165507 | 0.72 | — | — | |
| SCHEMBL20887362 | 0.72 | — | — | |
| SCHEMBL132032 | 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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106255688-B | Morpholine-pyridine derivate | 豪夫迈·罗氏有限公司 | 2019-11-08 | — | — | CN | claimed |
| CN-104395290-A | Novel adamantyl derivatives as cannabinoid receptor 2 agonists | HOFFMANN LA ROCHE | 2015-03-04 | — | — | CN | claimed |
| CN-102405211-B | Proline derivatives as cathepsin inhibitors | HOFFMANN LA ROCHE | 2015-01-21 | — | — | CN | claimed |
| CN-102388041-B | 2-morpholino-pyrido[3,2-d]pyrimidines | MERCK SERONO SA | 2014-12-24 | — | — | CN | claimed |
| CN-102459162-B | Novel cyclopentane derivatives | HOFFMANN LA ROCHE | 2014-01-08 | — | — | CN | claimed |
| CN-103396402-A | Substituted aminoindanes and analogs thereof and their pharmaceutical uses | SANOFI AVENTIS | 2013-11-20 | — | — | CN | claimed |
| US-20250340545-A1 | TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND, AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2025-11-06 | — | — | US | disclosed |
| EP-4538263-A1 | NOVEL TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND, AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2025-04-16 | — | — | EP | disclosed |
| CN-119301110-A | Novel tetrahydroisoquinoline compounds, preparation method thereof, pharmaceutical composition containing compounds and application of compounds | 中国科学院上海药物研究所 | 2025-01-10 | — | — | CN | disclosed |
| CN-117126134-A | Novel tetrahydroisoquinoline compounds, preparation method thereof, pharmaceutical composition containing compounds and application of compounds | 中国科学院上海药物研究所 | 2023-11-28 | — | — | CN | disclosed |
| CN-116768886-A | N- (4- (1H-pyrrolo [2,3-b ] pyridin-5-yl) phenyl) amide derivatives, preparation and use thereof | 安徽医科大学 | 2023-09-19 | — | — | CN | disclosed |
| CN-106255688-B | Morpholine-pyridine derivate | 豪夫迈·罗氏有限公司 | 2019-11-08 | — | — | CN | disclosed |
| CN-109942562-A | Five-ring heterocycles connection compound in triazine class containing heteroaryl structure and its preparation method and application | 江西科技师范大学 | 2019-06-28 | — | — | CN | disclosed |
| EP-1353662-A2 | METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-10-22 | — | — | EP | disclosed |
| WO-2002058690-A2 | METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-08-01 | — | — | WO | disclosed |
| EP-1200409-A2 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001002366-A2 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS INTICONVULSANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-01-11 | — | — | WO | disclosed |
| CN-1268942-A | Sulfonamide compounds and medicinal use thereof | FUJISAWA PHARMACEUTICAL CO (JP) | 2000-10-04 | — | — | CN | disclosed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |
| US-3985743-A | FROM AN AMINE AND A MONOHALOAMINE WTIH CARBON DISULFIDE IN A BASE | THE B. F. GOODRICH COMPANY (US) | 1976-10-12 | — | — | US | disclosed |