⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7504427 | 0.91 | TSHR (0.40) | — | |
| SCHEMBL9828447 | 0.83 | TSHR (0.34) | — | |
| SCHEMBL9827676 | 0.79 | TSHR (0.58) | — | |
| SCHEMBL8582156 | 0.75 | — | — | |
| SCHEMBL12050688 | 0.72 | — | — | |
| SCHEMBL4094042 | 0.72 | — | — | |
| SCHEMBL10932800 | 0.72 | TSHR (0.67) | — | |
| SCHEMBL305565 | 0.72 | — | — | |
| SCHEMBL11802275 | 0.71 | — | — | |
| SCHEMBL12347181 | 0.69 | — | — |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120190879-A1 | HYDROCHLORINATION OF ELECTRON-DEFICIENT ALKENES | FUTURE FUEL CHEMICAL COMPANY | 2012-07-26 | — | — | US | claimed |
| US-20100065492-A1 | Compositions And Methods For Separating Enantiomers | WATERS TECHNOLOGIES CORPORATION (US) | 2010-03-18 | — | — | US | claimed |
| US-7628920-B2 | Compositions and methods for separating enantiomers | WATERS TECHNOLOGIES CORPORATION (US) | 2009-12-08 | — | — | US | claimed |
| US-20080237130-A1 | Compositions and Methods for Separating Enantiomers | WATERS INVESTMENTS LIMITED (US) | 2008-10-02 | — | — | US | claimed |
| JP-2007532880-A | — | — | 2007-11-15 | — | — | JP | claimed |
| WO-2005099855-A1 | COMPOSITIONS AND METHODS FOR SEPARATING ENANTIOMERS | WATERS INVESTMENTS LIMITED (US) | 2005-10-27 | — | — | WO | claimed |
| CN-115894882-B | Liquid crystal polymer containing sulfur ether with excellent performance and preparation method thereof | 常州瑞杰新材料科技有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-115894882-A | Thioether-containing liquid crystal polymer with excellent performance and preparation method thereof | 常州瑞杰新材料科技有限公司 | 2023-04-04 | — | — | CN | disclosed |
| US-9493441-B2 | Acyclic cyanoethylpyrazoles as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-11-15 | — | — | US | disclosed |
| EP-2758050-B1 | ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-08-31 | — | — | EP | disclosed |
| WO-2014141118-A1 | IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AND USES THEREOF | Piramal Enterprises Limited (IN) | 2014-09-18 | — | — | WO | disclosed |
| US-20140228358-A1 | ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| EP-2758050-A1 | ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-30 | — | — | EP | disclosed |
| US-4371705-A | FROM ALDEHYDES OR KETONES AND METAL CYANIDES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1983-02-01 | — | — | US | disclosed |
| US-4370493-A | BY REACTING A CYANOHYDRIN WITH THIONYL CHLORIDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF ENERGY (US) | 1983-01-25 | — | — | US | disclosed |
| EP-0009788-B1 | PROCESS FOR THE PREPARATION OF MONO-CHLORO-ACETONITRILE | BAYER AG (DE) | 1982-07-28 | — | — | EP | disclosed |
| US-4089672-A | HERBICIDES | THE UPJOHN COMPANY (US) | 1978-05-16 | — | — | US | disclosed |
| US-4084955-A | 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES | THE UPJOHN COMPANY (US) | 1978-04-18 | — | — | US | disclosed |
| US-4038210-A | BETA-AMINO NITRILE CATALYSTS FOR POLYURETHANE PREPARATION | UNION CARBIDE CORPORATION (US) | 1977-07-26 | — | — | US | disclosed |
| US-4001293-A | Process for production of γ-halonitriles | THE DOW CHEMICAL COMPANY (US) | 1977-01-04 | — | — | US | disclosed |