⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19905801 | 0.89 | — | — | |
| SCHEMBL2349266 | 0.77 | — | — | |
| SCHEMBL19905800 | 0.70 | — | — | |
| SCHEMBL18801483 | 0.68 | — | — | |
| SCHEMBL1699383 | 0.68 | — | — | |
| SCHEMBL19122240 | 0.68 | — | — | |
| SCHEMBL10005775 | 0.68 | — | — | |
| SCHEMBL22932297 | 0.68 | — | — | |
| SCHEMBL27809675 | 0.67 | — | — | |
| SCHEMBL14217516 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106170483-A | 2 replacement 4 hydroxyl 4 methyl Pentamethylene oxide .s are prepared by the raw material comprising 2 alkyl 4,4 dimethyl 1,3 dioxanes | 巴斯夫欧洲公司 | 2016-11-30 | — | — | CN | claimed |
| CN-106232590-A | There is the preparation of 2 substituted 4 hydroxyl 4 methyl Pentamethylene oxide .s of stable aroma quality | 巴斯夫欧洲公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-106170483-A | 2 replacement 4 hydroxyl 4 methyl Pentamethylene oxide .s are prepared by the raw material comprising 2 alkyl 4,4 dimethyl 1,3 dioxanes | 巴斯夫欧洲公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-102089037-A | Equilibrium dynamic mixtures containing stabilized hemiacetals for controlled release of active alcohols | FIRMENICH & CIE | 2011-06-08 | — | — | CN | disclosed |