⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9325480 | 0.82 | — | — | |
| SCHEMBL9528097 | 0.80 | — | — | |
| SCHEMBL49983 | 0.79 | KIF11 (0.31) | — | |
| SCHEMBL80520 | 0.79 | KIF11 (0.31) | — | |
| SCHEMBL5373316 | 0.79 | — | — | |
| SCHEMBL1007445 | 0.79 | — | — | |
| SCHEMBL10466971 | 0.79 | — | — | |
| SCHEMBL9030688 | 0.76 | — | — | |
| SCHEMBL7460444 | 0.76 | — | — | |
| SCHEMBL10849104 | 0.76 | KIF11 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8633245-B2 | PAI-1 inhibitor | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2014-01-21 | — | — | US | disclosed |
| EP-2272817-A1 | PAI-1 INHIBITOR | Institute of Medicinal Molecular Design, Inc. (JP) | 2011-01-12 | — | — | EP | disclosed |
| US-20090312315-A1 | PAI-1 INHIBITOR | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2009-12-17 | — | — | US | disclosed |
| US-7259155-B2 | Phosphonic diester derivatives | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2007-08-21 | — | — | US | disclosed |
| US-20050256087-A1 | Phosphonic acid diester compounds | OTSUKA PHARMACEUTICAL FACTORY, INC. | 2005-11-17 | — | — | US | disclosed |