⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1448184 | 1.00 | — | — | |
| SCHEMBL5611588 | 0.95 | — | — | |
| SCHEMBL1450030 | 0.90 | — | — | |
| SCHEMBL8926692 | 0.90 | — | — | |
| SCHEMBL2935755 | 0.90 | — | — | |
| Bromide SCHEMBL10937344 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL913311 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3276518 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL6833369 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4494190 | 0.86 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113874355-A | Process for the manufacture of (6AR,10AR) -7-propyl-6, 6A,7,8,9,10,10A, 11-octahydro- [1,3] dioxacyclopenta [4',5':5, 6] benzo [1,2-G ] quinoline and (4AR,10AR) -1-propyl-1, 2,3,4,4A,5,10, 10A-octahydro-benzo [ G ] quinoline-6, 7-diol | H.隆德贝克有限公司 | 2021-12-31 | — | — | CN | claimed |
| EP-3411359-B1 | METHODS OF PREPARING HYDROXYLAMINE DERIVATIVES USEFUL IN THE PREPARATION OF ANTI-INFECTIVE AGENTS | MERCK SHARP & DOHME (US) | 2021-10-13 | — | — | EP | claimed |
| US-20240199608-A1 | AHR AGONISTS | ELI LILLY AND COMPANY | 2024-06-20 | — | — | US | disclosed |
| WO-2024107555-A1 | AHR AGONISTS | ELI LILLY AND COMPANY (US) | 2024-05-23 | — | — | WO | disclosed |
| WO-2023210741-A1 | BENZOTRIAZOLE COMPOUND | 第一三共株式会社 | 2023-11-02 | — | — | WO | disclosed |
| WO-2023210740-A1 | BENZOTHIOPHENE COMPOUND | 第一三共株式会社 | 2023-11-02 | — | — | WO | disclosed |
| CN-113874355-A | Process for the manufacture of (6AR,10AR) -7-propyl-6, 6A,7,8,9,10,10A, 11-octahydro- [1,3] dioxacyclopenta [4',5':5, 6] benzo [1,2-G ] quinoline and (4AR,10AR) -1-propyl-1, 2,3,4,4A,5,10, 10A-octahydro-benzo [ G ] quinoline-6, 7-diol | H.隆德贝克有限公司 | 2021-12-31 | — | — | CN | disclosed |
| WO-2017040449-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |
| US-9207296-B2 | Methods and apparatus for pasadena hyperpolarization | HUNTINGTON MEDICAL RESEARCH INSTITUTES (US) | 2015-12-08 | — | — | US | disclosed |
| US-20150022204-A1 | METHODS AND APPARATUS FOR PASADENA HYPERPOLARIZATION | HUNTINGTON MEDICAL RESEARCH INSTITUTES (US) | 2015-01-22 | — | — | US | disclosed |
| US-8785655-B2 | Ionic liquid solvents | DUBLIN CITY UNIVERSITY (IE) | 2014-07-22 | — | — | US | disclosed |
| US-20140112870-A1 | NMR spectroscopy and MRI methods and systems | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-04-24 | — | — | US | disclosed |
| US-8513234-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20130006099-A1 | COMPOSITIONS AND METHODS FOR METABOLIC IMAGING | IMAGNX, INC. | 2013-01-03 | — | — | US | disclosed |
| US-20120071661-A1 | Ionic Liquid Solvents | DUBLIN CITY UNIVERSITY (IE) | 2012-03-22 | — | — | US | disclosed |
| EP-2401258-A1 | IONIC LIQUID SOLVENTS | Dublin City University (IE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097412-A1 | IONIC LIQUID SOLVENTS | DUBLIN CITY UNIVERSITY (IE) | 2010-09-02 | — | — | WO | disclosed |
| EP-2223915-A1 | Ionic liquid solvents | Dublin City University (IE) | 2010-09-01 | — | — | EP | disclosed |
| WO-2010042392-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2010-04-15 | — | — | WO | disclosed |
| US-20100087419-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-08 | — | — | US | disclosed |