⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8522995 | 0.77 | — | — | |
| SCHEMBL9936023 | 0.77 | — | — | |
| SCHEMBL28957291 | 0.75 | USP2 (0.30) | — | |
| SCHEMBL1794941 | 0.70 | — | — | |
| SCHEMBL27759697 | 0.70 | — | — | |
| SCHEMBL14023890 | 0.70 | — | — | |
| SCHEMBL28210107 | 0.70 | FAAH (0.49) | — | |
| SCHEMBL7108890 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL248968 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL1194013 | 0.69 | — | — |
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-109154604-A | Charged surface reverse phase chromatography material method for analysis of glycans modified with amphiphilic strongly basic moieties | 沃特世科技公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-105126792-A | HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER | WATERS TECHNOLOGIES CORP | 2015-12-09 | — | — | CN | disclosed |