⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5065714 | 1.00 | — | — | |
| SCHEMBL3866834 | 1.00 | — | — | |
| SCHEMBL1614221 | 0.86 | OR51E2 (0.30) | — | |
| SCHEMBL4292509 | 0.84 | — | — | |
| SCHEMBL5417839 | 0.82 | DPP4 (0.30) | — | |
| SCHEMBL1259336 | 0.82 | CACNA2D1 (0.31) | — | |
| SCHEMBL14910214 | 0.82 | CACNA2D1 (0.31) | — | |
| SCHEMBL14910213 | 0.82 | CACNA2D1 (0.31) | — | |
| SCHEMBL18040151 | 0.81 | — | — | |
| SCHEMBL23824807 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080318947-A1 | Inhibitors of Akt Activity | HEERDING DIRK A | 2008-12-25 | — | — | US | disclosed |
| US-20070249670-A1 | Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-25 | — | — | US | disclosed |
| EP-1770085-A1 | DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT | Mitsui Chemicals, Inc. (JP) | 2007-04-04 | — | — | EP | disclosed |