⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4305468 | 0.85 | — | — | |
| SCHEMBL3817449 | 0.75 | — | — | |
| SCHEMBL9103428 | 0.72 | CYP2A6 (0.45) | — | |
| SCHEMBL3816084 | 0.72 | CYP2A6 (0.32) | — | |
| SCHEMBL30492726 | 0.72 | CYP2A6 (0.45) | — | |
| SCHEMBL4477774 | 0.71 | MAPT (0.35) | — | |
| SCHEMBL3483532 | 0.71 | CYP2A6 (0.46) | — | |
| SCHEMBL4065377 | 0.71 | CYP2A6 (0.34) | — | |
| SCHEMBL28221316 | 0.69 | — | — | |
| SCHEMBL29196038 | 0.68 | SLC9A1 (0.33) | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180118718-A1 | Substituted Quinoxaline Derivatives | SELVITA S.A. (PL) | 2018-05-03 | — | — | US | claimed |
| EP-3294728-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | SELVITA S.A. (PL) | 2018-03-21 | — | — | EP | claimed |
| EP-2702052-B1 | 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2017-10-18 | — | — | EP | claimed |
| WO-2016180537-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | SELVITA S.A. (PL) | 2016-11-17 | — | — | WO | claimed |
| EP-1778639-B1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RES INC (US) | 2015-09-02 | — | — | EP | claimed |
| US-9029399-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2015-05-12 | — | — | US | claimed |
| US-20140228386-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2014-08-14 | — | — | US | claimed |
| EP-2702052-A1 | 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2014-03-05 | — | — | EP | claimed |
| WO-2012149413-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-11-01 | — | — | WO | claimed |
| US-8236796-B2 | Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-08-07 | — | — | US | claimed |
| US-20090253906-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2009-10-08 | — | — | US | claimed |
| EP-1778639-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2007-05-02 | — | — | EP | claimed |
| US-20060052378-A1 | Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride | CURIA GLOBAL, INC. | 2006-03-09 | — | — | US | claimed |
| WO-2006020049-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2006-02-23 | — | — | WO | claimed |
| US-20230047816-A1 | PFKFB3 INHIBITORS AND THEIR USES | GERO PTE. LTD. (SG) | 2023-02-16 | — | — | US | disclosed |
| CN-113396145-A | PFKFB3 inhibitors and uses thereof | 盖罗发现有限责任公司 | 2021-09-14 | — | — | CN | disclosed |
| WO-2020080979-A1 | PFKFB3 INHIBITORS AND THEIR USES | GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) | 2020-04-23 | — | — | WO | disclosed |
| US-20090048443-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2009-02-19 | — | — | US | disclosed |
| US-20060063766-A1 | Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. | 2006-03-23 | — | — | US | disclosed |
| US-20060052378-A1 | Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride | CURIA GLOBAL, INC. | 2006-03-09 | — | — | US | disclosed |