⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13990922 | 0.73 | EPHX2 (0.41) | — | |
| SCHEMBL7441315 | 0.71 | GAA (0.46) | — | |
| SCHEMBL7433083 | 0.69 | GAA (0.45) | — | |
| SCHEMBL896264 | 0.66 | — | — | |
| SCHEMBL1237251 | 0.65 | — | — | |
| SCHEMBL2947270 | 0.65 | — | — | |
| SCHEMBL2947273 | 0.63 | — | — | |
| SCHEMBL3942505 | 0.62 | L3MBTL1 (0.36) | — | |
| SCHEMBL1237249 | 0.61 | — | — | |
| SCHEMBL341470 | 0.60 | SMN1; SMN2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7767828-B2 | Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV | PHENOMIX CORPORATION (US) | 2010-08-03 | — | — | US | disclosed |
| US-20060264401-A1 | METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV | PHENOMIX CORPORATION | 2006-11-23 | — | — | US | disclosed |