⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25544665 | 0.89 | — | — | |
| SCHEMBL17377297 | 0.82 | SLC6A3 (0.38) | — | |
| SCHEMBL23603002 | 0.80 | — | — | |
| SCHEMBL15166346 | 0.80 | — | — | |
| SCHEMBL4838694 | 0.80 | — | — | |
| SCHEMBL15818137 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL15157638 | 0.78 | SLC6A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL15157637 | 0.78 | SLC6A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL15157640 | 0.78 | SLC6A2 (0.36) | — | |
| SCHEMBL28529030 | 0.75 | SLC6A2 (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732896-B1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMA INC (US) | 2012-12-12 | — | — | EP | disclosed |
| US-20120202795-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-8173682-B2 | Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20070032489-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2007-02-08 | — | — | US | disclosed |
| EP-1732896-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | Aventis Pharmaceuticals Inc. (US) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005097750-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-20 | — | — | WO | disclosed |