⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4109384 | 0.81 | — | — | |
| SCHEMBL3651955 | 0.81 | — | — | |
| SCHEMBL4854238 | 0.75 | — | — | |
| SCHEMBL14405162 | 0.75 | — | — | |
| SCHEMBL28977830 | 0.74 | — | — | |
| SCHEMBL23925812 | 0.74 | — | — | |
| SCHEMBL4172894 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL9974853 | 0.71 | — | — | |
| SCHEMBL23925665 | 0.70 | CES1 (0.36) | — | |
| SCHEMBL21526289 | 0.69 | — | — |
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-105949036-A | Separation method of propyl alcohol-allyl alcohol mixture | 济南大学 | 2016-09-21 | — | — | CN | claimed |
| CN-105949036-A | Separation method of propyl alcohol-allyl alcohol mixture | 济南大学 | 2016-09-21 | — | — | CN | disclosed |