⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1355803 | 0.75 | — | — | |
| SCHEMBL4663699 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL15834916 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL19432767 | 0.72 | — | — | |
| SCHEMBL17627863 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL11565697 | 0.67 | SLC7A5 (0.32) | — | |
| SCHEMBL1572816 | 0.65 | TP53 (0.44) | — | |
| SCHEMBL13635791 | 0.65 | TP53 (0.44) | — | |
| SCHEMBL15834924 | 0.65 | TP53 (0.44) | — | |
| SCHEMBL81105 | 0.63 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9812656-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2017-11-07 | — | — | US | claimed |
| US-10927319-B2 | Use of a mixture of a complex ester with a monocarboxylic acid to reduce friction | BASF SE (DE) | 2021-02-23 | — | — | US | disclosed |
| US-20190345402-A1 | USE OF A MIXTURE OF A COMPLEX ESTER WITH A MONOCARBOXYLIC ACID TO REDUCE FRICTION | BASF SE (DE) | 2019-11-14 | — | — | US | disclosed |
| EP-2760581-A1 | RUTHENIUM OR OSMIUM COMPLEX, METHOD FOR ITS PREPARATION AND USE THEREOF | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013046108-A1 | RUTHENIUM OR OSMIUM COMPLEX, METHOD FOR ITS PREPARATION AND USE THEREOF | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2013-04-04 | — | — | WO | disclosed |
| US-6559343-B1 | Reacting cyclobutane-1,3-dione with silylation agent in presence of base; acetylation in presence of Lewis acid catalyst; cyclization | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-06 | — | — | US | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |