⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1142766 | 0.84 | DPP4 (0.32) | — | |
| SCHEMBL1142573 | 0.79 | DPP4 (0.33) | — | |
| SCHEMBL1142880 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL1142521 | 0.74 | NAAA (0.38) | — | |
| SCHEMBL1143586 | 0.73 | NAAA (0.40) | — | |
| SCHEMBL1142980 | 0.73 | NAAA (0.40) | — | |
| SCHEMBL1142740 | 0.71 | NAAA (0.35) | — | |
| SCHEMBL18063203 | 0.71 | DPP4 (0.35) | — | |
| SCHEMBL1143182 | 0.71 | CYP1A2 (0.30) | — | |
| SCHEMBL2491703 | 0.70 | NAAA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462168-A2 | MIXED DONOR SYSTEM FOR HIGH MELT FLOW AND HIGH ACTIVITY | BASF Corporation (US) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011017283-A2 | MIXED DONOR SYSTEM FOR HIGH MELT FLOW AND HIGH ACTIVITY | BASF CORPORATION (US) | 2011-02-10 | — | — | WO | disclosed |