⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8761819 | 1.00 | — | — | |
| SCHEMBL457832 | 1.00 | — | — | |
| SCHEMBL202014 | 1.00 | — | — | |
| SCHEMBL202013 | 1.00 | — | — | |
| SCHEMBL202012 | 1.00 | — | — | |
| Water SCHEMBL1133112 | 0.99 | — | — | |
| Water SCHEMBL2564078 | 0.99 | — | — | |
| Water SCHEMBL7951968 | 0.99 | — | — | |
| Water SCHEMBL1133115 | 0.99 | — | — | |
| SCHEMBL13992171 | 0.92 | — | — |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8617853-B2 | Ketoreductase polypeptides for the production of (S,E)-methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate | CODEXIS, INC. (US) | 2013-12-31 | — | — | US | claimed |
| US-20120184000-A1 | KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF (S,E)-METHYL 2-(3-(3-(2-(7-CHLOROQUINOLIN-2-YL)VINYL)PHENYL)-3-HYDROXYPROPYL)BENZOATE | CODEXIS, INC. (US) | 2012-07-19 | — | — | US | claimed |
| EP-2203557-B1 | KETOREDUCTASE POLYPEPTIDES AND USES THEREOF | CODEXIS INC (US) | 2012-02-29 | — | — | EP | claimed |
| US-8088610-B2 | Ketoreductases for the production of (S,E)-methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hroxypropyl)benzoate | CODEXIS, INC. (US) | 2012-01-03 | — | — | US | claimed |
| US-7858793-B2 | Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates | SATYANARAYANA CHAVA | 2010-12-28 | — | — | US | claimed |
| EP-2203557-A1 | KETOREDUCTASE POLYPEPTIDES AND USES THEREOF | Codexis, Inc. (US) | 2010-07-07 | — | — | EP | claimed |
| US-20090155863-A1 | KETOREDUCTASE POLYPEPTIDES AND USES THEREOF | CODEXIS, INC. (US) | 2009-06-18 | — | — | US | claimed |
| WO-2009042984-A1 | KETOREDUCTASE POLYPEPTIDES AND USES THEREOF | CODEXIS, INC. (US) | 2009-04-02 | — | — | WO | claimed |
| US-20060223999-A1 | Process for preparing montelukast and precursors thereof | CHEMAGIS LTD. (IL) | 2006-10-05 | — | — | US | claimed |
| CN-111474260-A | Detection method of montelukast sodium intermediate | 中山奕安泰医药科技有限公司 | 2020-07-31 | — | — | CN | disclosed |
| US-10093905-B2 | Ketoreductases | C-LECTA GMBH (DE) | 2018-10-09 | — | — | US | disclosed |
| EP-3134519-B1 | KETOREDUCTASES | C LECTA GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| US-20170218345-A1 | KETOREDUCTASES | C-LECTA GMBH (DE) | 2017-08-03 | — | — | US | disclosed |
| EP-3134519-A1 | KETOREDUCTASES | c-LEcta GmbH (DE) | 2017-03-01 | — | — | EP | disclosed |
| US-5693816-A | Process for the preparation of diisopinocampheylchloroborane | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| US-5565473-A | USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT | MERCK FROSST CANADA, INC. (CA) | 1996-10-15 | — | — | US | disclosed |
| US-5545758-A | Process for the preparation of diisopinocampheylchloroborane | MERCK & CO., INC. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5491077-A | STEREOSELECTIVE REDUCTION OF PHENYL ALKYL KETONE TO ALCOHOL USING MICROBACTERIUM STRAINS | MERCK & CO., INC. (US) | 1996-02-13 | — | — | US | disclosed |
| US-5427933-A | Bioconversion | MERCK & CO., INC. (US) | 1995-06-27 | — | — | US | disclosed |
| US-5270324-A | Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists | MERCK FROSST CANADA, INC. (CA) | 1993-12-14 | — | — | US | disclosed |