⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5907412 | 0.97 | — | — | |
| Ethane SCHEMBL28145652 | 0.92 | — | — | |
| SCHEMBL3287236 | 0.86 | — | — | |
| SCHEMBL10417541 | 0.72 | — | — | |
| SCHEMBL28063010 | 0.69 | KCNA4 (0.42) | — | |
| SCHEMBL10417542 | 0.69 | — | — | |
| Nitric Acid SCHEMBL10598415 | 0.68 | CA5A (0.42) | — | |
| SCHEMBL28262790 | 0.67 | GSR (0.30) | — | |
| SCHEMBL18823724 | 0.67 | GSR (0.30) | — | |
| SCHEMBL28758444 | 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-105541785-B | The post-processing approach of the dioxacyclohexanes of 2,2 dimethyl, 5 nitro, 5 nitroso 1,3 | 西安近代化学研究所 | 2017-12-22 | — | — | CN | claimed |