⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL47858 | 0.93 | — | — | |
| SCHEMBL28871042 | 0.93 | — | — | |
| SCHEMBL28233556 | 0.91 | — | — | |
| SCHEMBL458897 | 0.91 | — | — | |
| Alcohol SCHEMBL28258665 | 0.88 | — | — | |
| SCHEMBL458796 | 0.88 | — | — | |
| SCHEMBL115101 | 0.87 | — | — | |
| SCHEMBL745651 | 0.86 | LMNA (0.32) | — | |
| SCHEMBL4525991 | 0.86 | NAAA (0.31) | — | |
| SCHEMBL4517572 | 0.86 | NAAA (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105854850-A | Tetraazacyclododecane chromatographic stationary phase as well as preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2016-08-17 | — | — | CN | claimed |
| CN-105854850-B | Tetraazacyclododecanand base chromatographic stationary phases and its preparation method and application | 中国科学院兰州化学物理研究所 | 2019-02-01 | — | — | CN | disclosed |
| CN-105854850-A | Tetraazacyclododecane chromatographic stationary phase as well as preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2016-08-17 | — | — | CN | disclosed |