⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13965277 | 0.68 | — | — | |
| Propiolic Acid SCHEMBL4192977 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL497542 | 0.67 | — | — | |
| Propiolic Acid SCHEMBL1077 | 0.67 | — | — | |
| SCHEMBL529780 | 0.67 | — | — | |
| SCHEMBL405887 | 0.67 | — | — | |
| SCHEMBL6720016 | 0.65 | — | — | |
| Propiolic Acid SCHEMBL9426991 | 0.64 | CA1 (0.33) | — | |
| Propiolic Acid SCHEMBL18047804 | 0.64 | — | — | |
| Propiolic Acid SCHEMBL1569415 | 0.64 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912479-A | A kind of environment-friendly preparation method of Z-3- selenium cyanic acid ester group thioacrylic acid ester compounds | 湖南科技学院 | 2019-06-21 | — | — | CN | claimed |
| CN-109912479-A | A kind of environment-friendly preparation method of Z-3- selenium cyanic acid ester group thioacrylic acid ester compounds | 湖南科技学院 | 2019-06-21 | — | — | CN | disclosed |
| CN-109912479-A | A kind of environment-friendly preparation method of Z-3- selenium cyanic acid ester group thioacrylic acid ester compounds | 湖南科技学院 | 2019-06-21 | — | — | CN | disclosed |
| US-9839690-B2 | Singlet oxygen-labile linkers and methods of production and use thereof | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) | 2017-12-12 | — | — | US | disclosed |
| US-20170014510-A1 | Singlet Oxygen-Labile Linkers and Methods of Production and Use Thereof | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2017-01-19 | — | — | US | disclosed |
| US-9393306-B2 | Singlet oxygen-labile linkers and methods of production and use thereof | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) | 2016-07-19 | — | — | US | disclosed |
| US-20150165026-A1 | SINGLET OXYGEN-LABILE LINKERS AND METHODS OF PRODUCTION AND USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) | 2015-06-18 | — | — | US | disclosed |
| WO-2013163321-A1 | SINGLET OXYGEN-LABILE LINKERS AND METHODS OF PRODUCTION AND USE THEREOF | YOU YOUNGJAE (US) | 2013-10-31 | — | — | WO | disclosed |
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-6737544-B1 | HEATING ABOVE MELTING POINT | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-18 | — | — | US | disclosed |
| US-6150303-A | Substituted 3-phenylisoxazolines | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-21 | — | — | US | disclosed |
| CN-1189824-A | 1-amino-3-benzyluracils | BASF AG (DE) | 1998-08-05 | — | — | CN | disclosed |