⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9797502 | 0.97 | — | — | |
| SCHEMBL9797512 | 0.97 | CES2 (0.43) | — | |
| SCHEMBL27398963 | 0.86 | — | — | |
| SCHEMBL1437686 | 0.73 | — | — | |
| SCHEMBL5929221 | 0.72 | CES2 (0.42) | — | |
| SCHEMBL1144614 | 0.72 | — | — | |
| SCHEMBL22591348 | 0.71 | CES2 (0.57) | — | |
| SCHEMBL11067518 | 0.71 | MGLL (0.39) | — | |
| SCHEMBL4359650 | 0.71 | CES2 (0.43) | — | |
| SCHEMBL307206 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261586-B1 | CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV, PROCESSES FOR THEIR PREPARATION, AND THEIR USE | BRISTOL MYERS SQUIBB CO (US) | 2008-05-21 | — | — | EP | disclosed |
| EP-0410380-A2 | Novel process for the synthesis of 2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |