⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10348305 | 1.00 | — | — | |
| SCHEMBL5957000 | 0.76 | — | — | |
| SCHEMBL2701677 | 0.76 | — | — | |
| SCHEMBL953934 | 0.67 | — | — | |
| SCHEMBL13011035 | 0.67 | — | — | |
| SCHEMBL1389503 | 0.67 | — | — | |
| SCHEMBL362 | 0.65 | — | — | |
| SCHEMBL19007923 | 0.64 | — | — | |
| SCHEMBL13497566 | 0.64 | — | — | |
| SCHEMBL406091 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180297973-A1 | Nitroalkene Trolox Derivatives and Methods of Use Thereof In The Treatment And Prevention of Inflammation Related Conditions | INSTITUT PASTEUR DE MONTEVIDEO (UY) | 2018-10-18 | — | — | US | claimed |
| WO-2018037279-A1 | NITROALKENE TROLOX DERIVATIVES AND METHODS OF USE THEREOF IN THE TREATMENT AND PREVENTION OF INFLAMMATION RELATED CONDITIONS | INSTITUT PASTEUR DE MONTEVIDEO (UY) | 2018-03-01 | — | — | WO | claimed |
| US-20180297973-A1 | Nitroalkene Trolox Derivatives and Methods of Use Thereof In The Treatment And Prevention of Inflammation Related Conditions | INSTITUT PASTEUR DE MONTEVIDEO (UY) | 2018-10-18 | — | — | US | disclosed |
| US-9994541-B2 | Nitroalkene trolox derivatives and methods of use thereof in the treatment and prevention of inflammation related conditions | FACULTAD DE QUÍMICA, UNIVERSIDAD DE LA REPÚBLICA, URUGUAY (UY) | 2018-06-12 | — | — | US | disclosed |
| WO-2018037279-A1 | NITROALKENE TROLOX DERIVATIVES AND METHODS OF USE THEREOF IN THE TREATMENT AND PREVENTION OF INFLAMMATION RELATED CONDITIONS | INSTITUT PASTEUR DE MONTEVIDEO (UY) | 2018-03-01 | — | — | WO | disclosed |
| US-20180057475-A1 | Nitroalkene Trolox Derivatives and Methods of Use Thereof In The Treatment And Prevention of Inflammation Related Conditions | INSTITUT PASTEUR DE MONTEVIDEO (UY) | 2018-03-01 | — | — | US | disclosed |
| EP-0120352-B1 | DERIVATIVES OF N-ACYLANTHRANILIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING WEEDS | BASF Aktiengesellschaft (DE) | 1990-06-13 | — | — | EP | disclosed |
| EP-0078462-B1 | 1,2,4,6-THIATRIAZINE-1,1 DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-GROWTH AGENTS FOR UNWANTED PLANTS | BASF Aktiengesellschaft (DE) | 1986-01-15 | — | — | EP | disclosed |
| EP-0120352-A1 | Derivatives of N-acylanthranilic acids, process for their preparation and their use in combating weeds | BASF Aktiengesellschaft (DE) | 1984-10-03 | — | — | EP | disclosed |