⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28064775 | 1.00 | — | — | |
| SCHEMBL28013541 | 0.97 | MEN1 (0.30) | — | |
| Zinc Ion SCHEMBL28006153 | 0.95 | — | — | |
| SCHEMBL5328066 | 0.95 | — | — | |
| SCHEMBL28135198 | 0.95 | — | — | |
| Oxygen SCHEMBL28019162 | 0.93 | — | — | |
| Ethylene SCHEMBL28017660 | 0.91 | — | — | |
| Nitric Acid SCHEMBL29070792 | 0.88 | CA5A (0.38) | — | |
| SCHEMBL27930029 | 0.88 | — | — | |
| Nitric Acid SCHEMBL1351227 | 0.88 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106243131-A | 1,4 dimethyl 2,5 2 1H 1,2,4 couples triazole copper nitrate two dimension complex monocrystal and application | 天津师范大学 | 2016-12-21 | — | — | CN | claimed |
| CN-106243131-A | 1,4 dimethyl 2,5 2 1H 1,2,4 couples triazole copper nitrate two dimension complex monocrystal and application | 天津师范大学 | 2016-12-21 | — | — | CN | disclosed |
| CN-106243131-A | 1,4 dimethyl 2,5 2 1H 1,2,4 couples triazole copper nitrate two dimension complex monocrystal and application | 天津师范大学 | 2016-12-21 | — | — | CN | disclosed |
| CN-106243131-A | 1,4 dimethyl 2,5 2 1H 1,2,4 couples triazole copper nitrate two dimension complex monocrystal and application | 天津师范大学 | 2016-12-21 | — | — | CN | disclosed |
| CN-106220653-A | There is the double triazole copper-nitrate complex monocrystalline of anthracene nucleus and the application of hydrogen adsorption character | 天津师范大学 | 2016-12-14 | — | — | CN | disclosed |
| CN-106188104-A | There is the double triazole two dimension copper complex monocrystalline of anthracene nucleus and the application of hydrogen adsorption character | 天津师范大学 | 2016-12-07 | — | — | CN | disclosed |