⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29048414 | 0.91 | — | — | |
| SCHEMBL28455330 | 0.91 | — | — | |
| SCHEMBL27547274 | 0.89 | — | — | |
| SCHEMBL28171844 | 0.80 | — | — | |
| SCHEMBL28288629 | 0.80 | — | — | |
| SCHEMBL28067253 | 0.80 | — | — | |
| SCHEMBL28478758 | 0.80 | — | — | |
| SCHEMBL28638799 | 0.73 | — | — | |
| SCHEMBL2813298 | 0.67 | — | — | |
| SCHEMBL27804368 | 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-101817733-A | Method for preparing cyclohexanone by oxidizing cyclohexane | UNIV LANZHOU TECH | 2010-09-01 | — | — | CN | claimed |
| CN-101817733-B | Method for preparing cyclohexanone by oxidizing cyclohexane | UNIV LANZHOU TECH | 2012-12-19 | — | — | CN | disclosed |
| CN-102311328-A | Method for preparing acetophenone | UNIV LANZHOU TECH | 2012-01-11 | — | — | CN | disclosed |
| CN-101817733-A | Method for preparing cyclohexanone by oxidizing cyclohexane | UNIV LANZHOU TECH | 2010-09-01 | — | — | CN | disclosed |