⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL27546206 | 0.89 | — | — | |
| SCHEMBL28508911 | 0.67 | — | — | |
| SCHEMBL8733766 | 0.67 | — | — | |
| SCHEMBL28375542 | 0.63 | — | — | |
| SCHEMBL28375051 | 0.63 | — | — | |
| SCHEMBL27438658 | 0.61 | — | — | |
| SCHEMBL28660224 | 0.61 | — | — | |
| SCHEMBL29868665 | 0.58 | — | — | |
| SCHEMBL22165510 | 0.58 | — | — | |
| SCHEMBL28911640 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1332005-C | Synthesis of poly-alpha olefin and use thereof. | SHELL INT RESEARCH (NL) | 2007-08-15 | — | — | CN | disclosed |
| CN-1549852-A | Synthesis of poly-alpha olefin and use thereof. | 国际壳牌研究有限公司 | 2004-11-24 | — | — | CN | disclosed |