⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28288629 | 0.91 | — | — | |
| SCHEMBL2813298 | 0.82 | — | — | |
| SCHEMBL27416370 | 0.73 | — | — | |
| SCHEMBL27790271 | 0.73 | — | — | |
| SCHEMBL28171844 | 0.73 | — | — | |
| SCHEMBL27651304 | 0.73 | — | — | |
| SCHEMBL28478758 | 0.73 | — | — | |
| SCHEMBL11835790 | 0.71 | — | — | |
| SCHEMBL28455330 | 0.67 | — | — | |
| SCHEMBL29048414 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369383-B | Preparation method of cyclohexyl (meth) acrylate | 万华化学集团股份有限公司 | 2021-09-07 | — | — | CN | claimed |
| CN-109369383-B | Preparation method of cyclohexyl (meth) acrylate | 万华化学集团股份有限公司 | 2021-09-07 | — | — | CN | disclosed |