⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL618070 | 0.71 | — | — | |
| SCHEMBL2141086 | 0.71 | — | — | |
| SCHEMBL618069 | 0.71 | — | — | |
| SCHEMBL386523 | 0.69 | — | — | |
| SCHEMBL386522 | 0.69 | — | — | |
| SCHEMBL6400896 | 0.69 | — | — | |
| SCHEMBL4870237 | 0.67 | — | — | |
| SCHEMBL777561 | 0.67 | — | — | |
| SCHEMBL4870242 | 0.67 | — | — | |
| SCHEMBL777560 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108017508-A | A kind of method that tert-pentyl alcohol processed is hydrated by iso-amylene | 中国石油化工股份有限公司 | 2018-05-11 | — | — | CN | disclosed |