⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19558046 | 0.81 | — | — | |
| SCHEMBL291347 | 0.70 | — | — | |
| SCHEMBL19558045 | 0.67 | — | — | |
| SCHEMBL4662119 | 0.66 | — | — | |
| SCHEMBL4660656 | 0.66 | — | — | |
| SCHEMBL4660664 | 0.66 | — | — | |
| SCHEMBL7731009 | 0.64 | — | — | |
| SCHEMBL21781829 | 0.64 | — | — | |
| SCHEMBL15692447 | 0.64 | — | — | |
| SCHEMBL15692444 | 0.64 | — | — |
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-117603028-A | Preparation method of 3, 7-diethyl-3, 7-dimethyl nonane-4, 6-dione | 中钢天源股份有限公司 | 2024-02-27 | — | — | CN | claimed |
| CN-117603028-A | Preparation method of 3, 7-diethyl-3, 7-dimethyl nonane-4, 6-dione | 中钢天源股份有限公司 | 2024-02-27 | — | — | CN | disclosed |