⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL68724 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL2441916 | 0.78 | — | — | |
| SCHEMBL9861086 | 0.75 | — | — | |
| SCHEMBL8563840 | 0.75 | — | — | |
| SCHEMBL724826 | 0.75 | — | — | |
| SCHEMBL4982398 | 0.75 | — | — | |
| SCHEMBL10186900 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL10990376 | 0.75 | — | — | |
| Nitroacetic Acid SCHEMBL16673169 | 0.73 | LMNA (0.46) | — | |
| Nitroacetic Acid SCHEMBL953175 | 0.73 | LMNA (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110950724-A | Thermal-stable indoor smokeless and sulfur-free cold firework setting-off chemical and preparation method thereof | 江西吉润花炮新材料科技有限公司 | 2020-04-03 | — | — | CN | claimed |
| CN-110950724-A | Thermal-stable indoor smokeless and sulfur-free cold firework setting-off chemical and preparation method thereof | 江西吉润花炮新材料科技有限公司 | 2020-04-03 | — | — | CN | disclosed |
| CN-106103607-A | Ink composite, organic electroluminescent device and electronic equipment | 索尼公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-106068311-A | Ink composite, organic electroluminescent device and electronic equipment | 索尼公司 | 2016-11-02 | — | — | CN | disclosed |
| CN-105940517-A | Organic solar cell and method for manufacturing same | 株式会社LG化学 | 2016-09-14 | — | — | CN | disclosed |
| US-6528455-B1 | Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |
| EP-1237879-A1 | PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-11 | — | — | EP | disclosed |
| WO-2001044204-A1 | PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-21 | — | — | WO | disclosed |