⚠ 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 | — | — | |
| SCHEMBL202015 | 1.00 | — | — | |
| SCHEMBL202014 | 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 132 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 |
| 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-20080275243-A1 | Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts | SATYANARAYANA CHAVA | 2008-11-06 | — | — | US | claimed |
| 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 |
| WO-2015162064-A1 | KETOREDUCTASES | C-LECTA GMBH (DE) | 2015-10-29 | — | — | WO | disclosed |
| US-9062085-B2 | Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2015-06-23 | — | — | US | disclosed |
| WO-2006008750-A3 | METHYL 2-[(3S)-[3-[(2E)-(7-CHLORO QUINOLIN-2-YL) ETHENYL] PHENYL]-3-HALOPROPYL] BENZOATES | MATRIX LAB LTD (IN) | 2006-12-21 | — | — | WO | disclosed |
| WO-2006054317-A1 | PROCESS FOR THE PREPARATION OF NOVEL AMORPHOUS MONTELUKAST SODIUM | MATRIX LABORATORIES LTD (IN) | 2006-05-26 | — | — | WO | disclosed |
| WO-2006008750-A2 | METHYL 2-[(3S)-[3-[(2E)-(7-CHLORO QUINOLIN-2-YL) ETHENYL] PHENYL]-3-HALOPROPYL] BENZOATES | MATRIX LABORATORIES LTD (IN) | 2006-01-26 | — | — | WO | disclosed |
| WO-2006008751-A2 | PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS | MATRIX LABORATORIES LTD (IN) | 2006-01-26 | — | — | WO | disclosed |
| EP-0840728-A1 | HETEROARYL DIOL ACIDS AS LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1998-05-13 | — | — | EP | disclosed |
| WO-1996040638-A1 | HETEROARYL DIOL ACIDS AS LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (US) | 1996-12-19 | — | — | WO | disclosed |