⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17260866 | 0.74 | — | — | |
| SCHEMBL14144399 | 0.71 | — | — | |
| SCHEMBL12719530 | 0.71 | — | — | |
| SCHEMBL12421935 | 0.69 | — | — | |
| SCHEMBL23346734 | 0.69 | — | — | |
| SCHEMBL17532935 | 0.67 | — | — | |
| SCHEMBL25019684 | 0.67 | — | — | |
| SCHEMBL12570741 | 0.67 | — | — | |
| SCHEMBL634065 | 0.67 | — | — | |
| SCHEMBL21620533 | 0.66 | — | — |
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-108238855-A | A kind of purposes of the ring-opening reaction technique and N-heterocyclic carbine of epoxyalkane as epoxyalkane ring-opening reaction catalyst | 辽宁奥克化学股份有限公司 | 2018-07-03 | — | — | CN | disclosed |
| EP-2133406-B1 | Lubricating oil composition for internal combustion engine | IDEMITSU KOSAN CO (JP) | 2011-08-17 | — | — | EP | disclosed |