⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9214 | 0.93 | — | — | |
| Water SCHEMBL6485865 | 0.86 | — | — | |
| SCHEMBL28170698 | 0.86 | — | — | |
| Helium SCHEMBL31051324 | 0.86 | — | — | |
| SCHEMBL29850740 | 0.86 | — | — | |
| SCHEMBL3685236 | 0.86 | — | — | |
| SCHEMBL27982159 | 0.86 | — | — | |
| SCHEMBL28460084 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL7868729 | 0.86 | — | — | |
| Hydrogen Peroxide SCHEMBL28111477 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109289434-A | Nitrogen dioxide special purification material preparation method | 山西新华化工有限责任公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-108049943-A | Diesel exhaust particulate object carbon black purifying processing device and method | 汪家琳 | 2018-05-18 | — | — | CN | disclosed |
| CN-104443466-A | Method and equipment for filling large containers | KRONES AG | 2015-03-25 | — | — | CN | disclosed |
| CN-100489498-C | Multiple-parameter air quality rapid determination instrument | CHANGCHUN JILIN UNIVERSITY LIT (CN) | 2009-05-20 | — | — | CN | disclosed |
| CN-1991337-A | Multiple-parameter air quality rapid determination instrument | CHANGCHUN JILIN UNIVERSITY LIT (CN) | 2007-07-04 | — | — | CN | disclosed |
| CN-2854581-Y | Multiparameter air quality quick investigator | CHANGCHUN JIDA SWALL INSTR CO (CN) | 2007-01-03 | — | — | CN | disclosed |
| US-4451275-A | Nitrogen rejection from natural gas with CO2 and variable N2 content | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1984-05-29 | — | — | US | disclosed |