⚠ 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL6135812 | 0.83 | TSHR (0.44) | — | |
| Cyclooctane SCHEMBL5446228 | 0.79 | TSHR (0.70) | — | |
| Cyclohexane SCHEMBL103613 | 0.79 | TSHR (0.70) | — | |
| Cyclopentane SCHEMBL3344833 | 0.79 | TSHR (0.70) | — | |
| Pentane SCHEMBL20969266 | 0.79 | — | — | |
| Hexane SCHEMBL7455399 | 0.79 | TSHR (0.44) | — | |
| Cyclohexene SCHEMBL28202683 | 0.79 | TSHR (0.47) | — | |
| Hexane SCHEMBL28208671 | 0.76 | TSHR (0.41) | — | |
| Cyclohexane SCHEMBL654764 | 0.75 | TSHR (0.64) | — | |
| Hexane SCHEMBL27707135 | 0.75 | TSHR (0.64) | — |
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-104327200-B | The preparation method of polyalphaolefin | 埃克森美孚化学专利公司 | 2017-07-14 | — | — | CN | disclosed |
| CN-101018815-B | Multiple catalyst and reactor system for olefin polymerization and polymers produced thereby | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2016-11-30 | — | — | CN | disclosed |