⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15768471 | 0.76 | — | — | |
| SCHEMBL449996 | 0.73 | — | — | |
| SCHEMBL27851827 | 0.71 | — | — | |
| SCHEMBL28576039 | 0.71 | — | — | |
| Dimethylamine SCHEMBL4268438 | 0.69 | — | — | |
| SCHEMBL15785139 | 0.67 | — | — | |
| SCHEMBL5014095 | 0.67 | — | — | |
| SCHEMBL15135200 | 0.67 | — | — | |
| SCHEMBL15135116 | 0.67 | LMNA (0.30) | — | |
| Methylethylamine SCHEMBL4261572 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102453045-B | Calixarene radical-containing compound and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2014-07-09 | — | — | CN | disclosed |
| CN-102453151-B | Olefin polymerization catalyst system and olefin polymerization method using same | CHINA PETROLEUM & CHEMICAL | 2013-06-05 | — | — | CN | disclosed |
| CN-102453045-A | Compound containing calixarene group and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2012-05-16 | — | — | CN | disclosed |
| CN-102453151-A | Olefin polymerization catalyst system and olefin polymerization method using the same | CHINA PETROLEUM & CHEMICAL | 2012-05-16 | — | — | CN | disclosed |