⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29990577 | 0.77 | — | — | |
| SCHEMBL625309 | 0.77 | — | — | |
| SCHEMBL8787170 | 0.75 | — | — | |
| SCHEMBL5713265 | 0.75 | — | — | |
| SCHEMBL30487348 | 0.75 | — | — | |
| SCHEMBL990885 | 0.75 | CYP1A2 (0.45) | — | |
| SCHEMBL6124890 | 0.75 | — | — | |
| Cesium SCHEMBL625472 | 0.75 | CYP1A2 (0.45) | — | |
| SCHEMBL626489 | 0.75 | CYP1A2 (0.45) | — | |
| SCHEMBL11340444 | 0.74 | CYP1A2 (0.48) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1948611-B1 | Process for the preparation of a leukotriene antagonist and intermediates thereof | ESTEVE QUIMICA SA (ES) | 2012-05-23 | — | — | EP | disclosed |
| US-20080306270-A1 | Process for the Preparation of a Leukotriene Antagonist and Intermediates Thereof | Esteve Química, S.A. (ES) | 2008-12-11 | — | — | US | disclosed |
| EP-1948611-A2 | PROCESS FOR THE PREPARATION OF A LEUKOTRIENE ANTAGONIST AND INTERMEDIATES THEREOF | ESTEVE QUIMICA, S.A. (ES) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007051828-A2 | PROCESS FOR THE PREPARATION OF A LEUKOTRIENE ANTAGONIST AND INTERMEDIATES THEREOF | ESTEVE QUÍMICA, S. A. (ES) | 2007-05-10 | — | — | WO | disclosed |
| US-7189853-B2 | Process for the preparation of [R-(E)-1-[[[1-[3-[2-[7-chloro-2-quinolinyl]ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid (Montelukast) and its pharmaceutically acceptable salts | DR. REDDY'S LABORATORIES LIMITED (IN) | 2007-03-13 | — | — | US | disclosed |
| US-20050234241-A1 | Process for the preparation of [R-(E)-1-[[[1-[3-[2-[7-chloro-2-quinolinyl]ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid (montelukast) and its pharmaceutically acceptable salts | U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT | 2005-10-20 | — | — | US | disclosed |
| US-6320052-B1 | CRYSTALLINE PRECURSORS OF 1-(((1(R)-(3-(2-(7-CHLORO-2-QUINO LYNYL)ETHENYL)PHENYL)-3-(2-HYDROXY-1-METHYL-ETHYL)PHENYL) PROPYL)THIO)METHYL)CYCLOPROPYLACETIC ACID | MERCK & CO., INC. | 2001-11-20 | — | — | US | disclosed |
| EP-0737186-B1 | PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS | MERCK & CO INC (US) | 1998-08-19 | — | — | EP | disclosed |
| EP-0641775-B1 | Process for the production of gamma-mercapto carbonic acid derivatives | LONZA AG (CH) | 1998-04-15 | — | — | EP | disclosed |
| EP-0805808-A1 | PROCESS FOR THE PREPARATION OF 1-(THIOMETHYL)-CYCLOPROPANEACETIC ACID | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| US-5614632-A | Process for the preparation of leukotriene anatgonists | MERCK & CO., INC. (US) | 1997-03-25 | — | — | US | disclosed |
| EP-0737186-A1 | PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS | MERCK & CO. INC. (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1996022987-A1 | PROCESS FOR THE PREPARATION OF 1-(THIOMETHYL)-CYCLOPROPANEACETIC ACID | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |
| US-5534651-A | REACTING A BUTYROLACTONE WITH THIOCARBOXYLATE TO FORM THIOLACTONE; DECYCLIZATION WITH NUCLEOPHILE | LONZA LTD. (CH) | 1996-07-09 | — | — | US | disclosed |
| US-5523477-A | REACTING 1,1-CYCLOPROPANEDIMETHANOL WITH DIALKYL SULFITE IN PRESENCE OF ACID OR BASE TO FORM CYCLIC SULFITE, REMOVING ALCOHOL REACTION BY-PRODUCT | MERCK & CO., INC. (US) | 1996-06-04 | — | — | US | disclosed |
| WO-1995018107-A1 | PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS | MERCK & CO., INC. (US) | 1995-07-06 | — | — | WO | disclosed |