⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2533951 | 0.80 | — | — | |
| SCHEMBL467181 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL2289279 | 0.71 | — | — | |
| SCHEMBL11253513 | 0.71 | — | — | |
| SCHEMBL1501103 | 0.70 | CES2 (0.31) | — | |
| SCHEMBL2679897 | 0.70 | — | — | |
| SCHEMBL8900881 | 0.69 | CES2 (0.32) | — | |
| SCHEMBL37107 | 0.69 | CES2 (0.32) | — | |
| SCHEMBL6047727 | 0.69 | — | — | |
| SCHEMBL98028 | 0.68 | CES2 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0584664-B1 | Polymerizable dipeptides: preparation, polymerization and use of the polymers for the chromatographic separation of enantiomers | BAYER AG (DE) | 1998-11-04 | — | — | EP | disclosed |