⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL223029 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27311630 | 0.93 | — | — | |
| SCHEMBL27837445 | 0.93 | — | — | |
| SCHEMBL27565186 | 0.93 | — | — | |
| SCHEMBL27258887 | 0.93 | — | — | |
| SCHEMBL27309629 | 0.93 | — | — | |
| SCHEMBL27984705 | 0.93 | — | — | |
| SCHEMBL27863114 | 0.93 | — | — | |
| SCHEMBL27845923 | 0.93 | — | — | |
| SCHEMBL27483071 | 0.93 | — | — |
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-107663145-A | Method for producing the alcohol of 2,6 dimethyl, 1,5 heptadiene 3 and its acetic acid esters | 信越化学工业株式会社 | 2018-02-06 | — | — | CN | disclosed |