⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3749333 | 1.00 | — | — | |
| SCHEMBL3749337 | 1.00 | — | — | |
| SCHEMBL3743158 | 0.80 | DPP4 (0.32) | — | |
| SCHEMBL4749589 | 0.80 | DPP4 (0.31) | — | |
| SCHEMBL3743163 | 0.80 | DPP4 (0.32) | — | |
| SCHEMBL3743670 | 0.76 | DPP4 (0.40) | — | |
| SCHEMBL3743674 | 0.76 | DPP4 (0.40) | — | |
| SCHEMBL3744852 | 0.75 | KDM1A (0.33) | — | |
| SCHEMBL3744847 | 0.75 | KDM1A (0.33) | — | |
| SCHEMBL3744845 | 0.75 | KDM1A (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919854-B1 | PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBVIE INC (US) | 2013-09-18 | — | — | EP | disclosed |
| US-7834012-B2 | Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2010-11-16 | — | — | US | disclosed |
| US-20070049596-A1 | Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) | ABBVIE INC. | 2007-03-01 | — | — | US | disclosed |