⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL690353 | 1.00 | — | — | |
| SCHEMBL690239 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31275468 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL10525144 | 0.97 | HCAR2 (0.57) | — | |
| SCHEMBL2189944 | 0.91 | HCAR2 (0.60) | — | |
| Benzene SCHEMBL27601984 | 0.91 | HCAR2 (0.50) | — | |
| Trimethylammonium SCHEMBL27481835 | 0.91 | HCAR2 (0.50) | — | |
| Acrylic Acid Methyl Ester SCHEMBL27647612 | 0.89 | HCAR2 (0.48) | — | |
| SCHEMBL11313242 | 0.86 | HCAR2 (0.50) | — | |
| SCHEMBL7744946 | 0.86 | HCAR2 (0.50) | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233881-B1 | UNIVERSAL METHYLATION PROFILING METHODS | UNIV COLUMBIA (US) | 2020-02-12 | — | — | EP | disclosed |
| US-20160355542-A1 | UNIVERSAL METHYLATION PROFILING METHODS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-12-08 | — | — | US | disclosed |
| WO-2016100864-A1 | UNIVERSAL METHYLATION PROFILING METHODS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-06-23 | — | — | WO | disclosed |
| US-20160031790-A1 | METHOD OF MANUFACTURE OF OCTANEDIOIC ACID, PRECURSORS, AND DERIVATIVES | GFBIOCHEMICALS LIMITED (MT) | 2016-02-04 | — | — | US | disclosed |
| WO-2014204861-A1 | UNIVERSAL METHYLATION PROFILING METHODS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-12-24 | — | — | WO | disclosed |
| WO-2013043826-A1 | TRICYCLIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | ABBVIE INC. (US) | 2013-03-28 | — | — | WO | disclosed |
| US-20130072470-A1 | NOVEL TRICYCLIC COMPOUNDS | ABBVIE INC. (US) | 2013-03-21 | — | — | US | disclosed |
| US-20100152160-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | KHAMRAI UTTAM | 2010-06-17 | — | — | US | disclosed |
| US-20090209430-A1 | TEMPLATE DIRECTED SPLIT AND MIX SYSTHESIS OF SMALL MOLECULE LIBRARIES | NUEVOLUTION A/S (DK) | 2009-08-20 | — | — | US | disclosed |
| CN-1297562-C | Diphosphine | BASF AG (DE) | 2007-01-31 | — | — | CN | disclosed |
| EP-0269042-A2 | Process for preparing 2 propenylidene-3 ethyl glutaric acid diesters | BASF Aktiengesellschaft (DE) | 1988-06-01 | — | — | EP | disclosed |
| EP-0269043-A2 | Process for preparing 3 pentenoic acid esters from 2-pentenoic acid esters | BASF Aktiengesellschaft (DE) | 1988-06-01 | — | — | EP | disclosed |
| EP-0269045-A2 | Process for preparing etherifed 3-hydroxy valeric acid esters | BASF Aktiengesellschaft (DE) | 1988-06-01 | — | — | EP | disclosed |
| EP-0269046-A2 | Process for the isomerization of 2 pentenoic acid esters into 3 pentenoic acid esters | BASF Aktiengesellschaft (DE) | 1988-06-01 | — | — | EP | disclosed |
| EP-0269078-A2 | Isomerization process of 2-cis-pentenoic-acid esters to 2-trans-pentenoic-acid esters | BASF Aktiengesellschaft (DE) | 1988-06-01 | — | — | EP | disclosed |
| EP-0266691-A2 | Method for the production of alkene carboxylic acid esters | BASF Aktiengesellschaft (DE) | 1988-05-11 | — | — | EP | disclosed |
| US-4740613-A | Preparation of 4-pentenoates | BASF AKTIENGESELLSCHAFT (DE) | 1988-04-26 | — | — | US | disclosed |
| EP-0238003-A1 | Process for the preparation of 4-pentenoic acid esters | BASF Aktiengesellschaft (DE) | 1987-09-23 | — | — | EP | disclosed |
| US-4529815-A | Preparation of 4-pentenoates | BASF AKTIENGESELLSCHAFT (DE) | 1985-07-16 | — | — | US | disclosed |
| EP-0126349-A1 | Process for the preparation of 4-pentenoic-acid esters | BASF Aktiengesellschaft (DE) | 1984-11-28 | — | — | EP | disclosed |