⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23747846 | 0.68 | FDPS (0.33) | — | |
| SCHEMBL19334565 | 0.67 | FDPS (0.40) | — | |
| SCHEMBL27279134 | 0.64 | FDPS (0.31) | — | |
| SCHEMBL18822647 | 0.64 | — | — | |
| SCHEMBL3106202 | 0.64 | FDPS (0.39) | — | |
| SCHEMBL23240941 | 0.63 | — | — | |
| SCHEMBL18879826 | 0.63 | — | — | |
| SCHEMBL19112826 | 0.61 | FDPS (0.36) | — | |
| SCHEMBL6743707 | 0.61 | — | — | |
| SCHEMBL18822645 | 0.61 | FDPS (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018142327-A1 | OXALATE SALTS OF TENELIGLIPTIN AND SOLVATES THEREOF, INTERMEDIATES, PROCESS OF PREPARATION | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2018-08-09 | — | — | WO | disclosed |