⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1398366 | 0.93 | — | — | |
| SCHEMBL1912 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27438279 | 0.86 | — | — | |
| SCHEMBL29278226 | 0.86 | — | — | |
| SCHEMBL28093350 | 0.86 | — | — | |
| Water SCHEMBL28206382 | 0.86 | — | — | |
| SCHEMBL22749090 | 0.86 | — | — | |
| SCHEMBL20636748 | 0.86 | — | — | |
| SCHEMBL20797011 | 0.86 | — | — | |
| SCHEMBL28093279 | 0.86 | — | — |
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-109704944-A | It is a kind of the method for menthones to be prepared by citronellal and for the catalyst system of this method | 万华化学集团股份有限公司 | 2019-05-03 | — | — | CN | claimed |