⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6604173 | 0.68 | — | — | |
| SCHEMBL2239840 | 0.68 | — | — | |
| SCHEMBL9195922 | 0.67 | ALDH1A1 (0.67) | — | |
| SCHEMBL4442463 | 0.67 | — | — | |
| SCHEMBL9350775 | 0.67 | — | — | |
| SCHEMBL534932 | 0.65 | — | — | |
| SCHEMBL19429583 | 0.65 | — | — | |
| SCHEMBL14231153 | 0.65 | — | — | |
| SCHEMBL3595886 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL830377 | 0.64 | ALDH1A1 (1.00) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180222869-A1 | ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR | UNITED STATES GOVERNMENT | 2018-08-09 | — | — | US | disclosed |
| CN-108368081-A | Andrographolide changes structure compound | 黑龙江珍宝岛药业股份有限公司 | 2018-08-03 | — | — | CN | disclosed |
| US-9963433-B2 | Anticancer drugs including the chemical structures of an androgen receptor ligand and a histone deacetylase inhibitor | WAYNE STATE UNIVERSITY (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170217903-A1 | ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR | WAYNE STATE UNIVERSITY | 2017-08-03 | — | — | US | disclosed |
| CN-106800551-A | Andrographolide changes structure compound | 南京明德新药研发股份有限公司 | 2017-06-06 | — | — | CN | disclosed |
| US-7906530-B2 | 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors | LABORATORIOS ALMIRALL, S.A. (ES) | 2011-03-15 | — | — | US | disclosed |
| US-20100227881-A1 | 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS | LABORATORIOS ALMIRALL, S.A. (ES) | 2010-09-09 | — | — | US | disclosed |
| EP-2049537-A1 | 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS | Laboratorios Almirall, S.A. (ES) | 2009-04-22 | — | — | EP | disclosed |
| CN-101277965-A | Imidazo [2, 1-b ] thiazole derivatives as SIRTUIN modulating compounds | SIRTRIS PHARMACEUTICALS INC (US) | 2008-10-01 | — | — | CN | disclosed |
| WO-2008017461-A1 | 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS | LABORATORIOS ALMIRALL, S.A. (ES) | 2008-02-14 | — | — | WO | disclosed |
| CN-1161344-C | 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof and process for preparation of both | ������ҩ��ʽ���� | 2004-08-11 | — | — | CN | disclosed |
| EP-1020453-B1 | 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH | KYORIN SEIYAKU KK (JP) | 2004-05-19 | — | — | EP | disclosed |
| US-6348461-B1 | CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2002-02-19 | — | — | US | disclosed |
| CN-1269794-A | 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof and process for preparation of both | KYORIN SEIYAKU KK (JP) | 2000-10-11 | — | — | CN | disclosed |
| EP-1020453-A1 | 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2000-07-19 | — | — | EP | disclosed |
| EP-0489327-B1 | Chroman derivatives | MERCK PATENT GMBH (DE) | 1998-05-27 | — | — | EP | disclosed |
| US-5238937-A | PYRIDAZINY OR OXODIHYDROPYRIDAZINYL CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT (DE) | 1993-08-24 | — | — | US | disclosed |
| EP-0489327-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1992-06-10 | — | — | EP | disclosed |
| US-4131677-A | Anti-inflammatory oxazolo [5,4-b]pyridines | MERCK & CO., INC. (US) | 1978-12-26 | — | — | US | disclosed |
| US-4038396-A | ANTIPYRETICS, ANALGESICS | MERCK & CO., INC. (US) | 1977-07-26 | — | — | US | disclosed |