⚠ 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 | |
|---|---|---|---|---|
| Octane SCHEMBL179870 | 0.95 | — | — | |
| Dodecane SCHEMBL136208 | 0.95 | TSHR (0.89) | — | |
| Decane SCHEMBL6264949 | 0.95 | TSHR (0.89) | — | |
| Heptane SCHEMBL265284 | 0.95 | — | — | |
| Octane SCHEMBL5861446 | 0.95 | TSHR (0.89) | — | |
| Tridecane SCHEMBL4215671 | 0.95 | TSHR (0.89) | — | |
| Nonane SCHEMBL525117 | 0.95 | TSHR (0.89) | — | |
| Undecane SCHEMBL4210309 | 0.95 | TSHR (0.89) | — | |
| Decane SCHEMBL21694435 | 0.95 | TSHR (0.89) | — | |
| Octane SCHEMBL7866472 | 0.95 | — | — |
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-101570684-B | Preparation method of catalytic viscosity reducer for thick oil aqua-thermolysis | CHINA UNIVERSITY OF GEOSCIENCES (WUHAN) (CN) | 2011-11-30 | — | — | CN | disclosed |
| CN-101570684-A | Preparation method of catalytic viscosity reducer for thick oil aqua-thermolysis | UNIV CHINA GEOSCIENCES WUHAN (CN) | 2009-11-04 | — | — | CN | disclosed |
| CN-101134893-A | Preparation method of catalytic thinner for viscous crude water thermo-cracking | UNIV CHINA GEOSCIENCES WUHAN (CN) | 2008-03-05 | — | — | CN | disclosed |