⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL869844 | 0.97 | — | — | |
| SCHEMBL5677378 | 0.94 | CXCR4 (0.44) | — | |
| Piperidine SCHEMBL28519094 | 0.94 | ALDH1A1 (0.60) | — | |
| SCHEMBL11392517 | 0.94 | ALDH1A1 (0.41) | — | |
| SCHEMBL29016828 | 0.91 | ALDH1A1 (0.53) | — | |
| Pyrrolidine SCHEMBL14809175 | 0.91 | ALDH1A1 (0.53) | — | |
| Thiomorpholine SCHEMBL6624599 | 0.91 | ALDH1A1 (0.53) | — | |
| SCHEMBL12100700 | 0.88 | — | — | |
| SCHEMBL138572 | 0.88 | — | — | |
| SCHEMBL12882833 | 0.88 | CXCR4 (0.41) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019162391-A1 | METHOD FOR PRODUCING FLUORINATED HETEROCYCLIC ALIPHATIC COMPOUNDS | Westfälische Wilhelms-Universität Münster (DE) | 2019-08-29 | — | — | WO | disclosed |
| EP-2766120-A1 | METHOD FOR CATALYTIC HETEROAROMATIC HYDROGENATION | Westfälische Wilhelms-Universität Münster (DE) | 2014-08-20 | — | — | EP | disclosed |
| WO-2013053796-A1 | METHOD FOR CATALYTIC HETEROAROMATIC HYDROGENATION | Westfälische Wilhelms Universität Münster (DE) | 2013-04-18 | — | — | WO | disclosed |
| EP-2552895-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | Westfälische Wilhelms-Universität Münster (DE) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120861-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) | 2011-10-06 | — | — | WO | disclosed |
| EP-2178943-A1 | METHOD FOR THE PRODUCTION OF THIOPHENE OLIGOMERS | Bayer Technology Services GmbH (DE) | 2010-04-28 | — | — | EP | disclosed |
| EP-2176314-A2 | PROCESS FOR THE PREPARATION OF POLY- AND OLIGOTHIOPHENES ON AN INDUSTRIAL SCALE | Bayer Technology Services GmbH (DE) | 2010-04-21 | — | — | EP | disclosed |
| EP-2167565-A1 | PROCESS FOR SYNTHESIZING OLIGO/POLYTHIOPHENES BY A 'ONE-POT' SYNTHESIS ROUTE | Bayer Technology Services GmbH (DE) | 2010-03-31 | — | — | EP | disclosed |
| WO-2009021639-A1 | METHOD FOR THE PRODUCTION OF THIOPHENE OLIGOMERS | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2009-02-19 | — | — | WO | disclosed |
| WO-2009015810-A2 | PROCESS FOR THE PREPARATION OF POLY- AND OLIGOTHIOPHENES ON AN INDUSTRIAL SCALE | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2009-02-05 | — | — | WO | disclosed |
| WO-2009007012-A1 | PROCESS FOR SYNTHESIZING OLIGO/POLYTHIOPHENES BY A 'ONE-POT' SYNTHESIS ROUTE | BAYER TECHNOLOGY SERVICES GMBH (DE) | 2009-01-15 | — | — | WO | disclosed |
| EP-1811997-A2 | LOW-MOLECULAR INHIBITORS OF CYTOHESIN-FAMILY GUANINE NUCLEOTIDE EXCHANGE FACTORS | Rheinische Friedrich-Wilhelms-Universität Bonn (DE) | 2007-08-01 | — | — | EP | disclosed |
| EP-1781755-A1 | ELECTROLUMINESCENT COMPOUNDS CONTAINING EXCITON CONDUCTING COMPOUND | Philips Intellectual Property & Standards GmbH (DE) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006053903-A2 | LOW-MOLECULAR INHIBITORS OF CYTOHESIN-FAMILY GUANINE NUCLEOTIDE EXCHANGE FACTORS | RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) | 2006-05-26 | — | — | WO | disclosed |
| EP-1647062-A1 | MULTIFLUORINATED CONDUCTOR MATERIAL FOR LEDS FOR IMPROVING THE LIGHT OUTCOUPLING | Philips Intellectual Property & Standards GmbH (DE) | 2006-04-19 | — | — | EP | disclosed |
| WO-2005105951-A1 | ELECTROLUMINESCENT COMPOUNDS CONTAINING EXCITON CONDUCTING COMPOUND | PHILIPS INTELLECTUAL PROPERTY & STANDARDS GMBH (DE) | 2005-11-10 | — | — | WO | disclosed |
| WO-2005004251-A1 | MULTIFLUORINATED CONDUCTOR MATERIAL FOR LEDS FOR IMPROVING THE LIGHT OUTCOUPLING | PHILIPS INTELLECTUAL PROPERTY & STANDARDS GMBH (DE) | 2005-01-13 | — | — | WO | disclosed |
| EP-1456337-A1 | SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003054128-A1 | SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-07-03 | — | — | WO | disclosed |