⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22148193 | 0.77 | — | — | |
| SCHEMBL32667997 | 0.77 | — | — | |
| SCHEMBL10776543 | 0.77 | — | — | |
| SCHEMBL14194306 | 0.75 | — | — | |
| SCHEMBL2345878 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL549356 | 0.73 | — | — | |
| SCHEMBL20898290 | 0.73 | — | — | |
| SCHEMBL8815215 | 0.73 | — | — | |
| SCHEMBL8815223 | 0.73 | — | — | |
| SCHEMBL3468294 | 0.72 | — | — |
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-102643420-B | Poly alkyl ether compound with strange end group and double functional groups and application thereof | INST PROCESS ENG CAS | 2015-05-20 | — | — | CN | disclosed |
| CN-102643420-A | Poly alkyl ether compound with strange end group and double functional groups and application thereof | INST PROCESS ENG CAS | 2012-08-22 | — | — | CN | disclosed |