⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4533868 | 1.00 | — | — | |
| SCHEMBL14820767 | 0.86 | — | — | |
| SCHEMBL18676981 | 0.77 | — | — | |
| SCHEMBL15416520 | 0.71 | — | — | |
| SCHEMBL820008 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL16752783 | 0.70 | — | — | |
| SCHEMBL18530700 | 0.69 | DRD2 (0.42) | — | |
| SCHEMBL14808858 | 0.68 | — | — | |
| SCHEMBL14293420 | 0.67 | — | — | |
| SCHEMBL7705232 | 0.66 | DRD3 (0.30) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200101068-A1 | Heteroaryl Derivatives as PARP Inhibitors | LUPIN LIMITED (IN) | 2020-04-02 | — | — | US | disclosed |
| US-20200101068-A1 | Heteroaryl Derivatives as PARP Inhibitors | LUPIN LIMITED (IN) | 2020-04-02 | — | — | US | disclosed |
| EP-3337802-A1 | HETEROARYL DERIVATIVES AS PARP INHIBITORS | Lupin Limited (IN) | 2018-06-27 | — | — | EP | disclosed |
| WO-2017029601-A1 | HETEROARYL DERIVATIVES AS PARP INHIBITORS | LUPIN LIMITED (IN) | 2017-02-23 | — | — | WO | disclosed |
| WO-2017029601-A1 | HETEROARYL DERIVATIVES AS PARP INHIBITORS | LUPIN LIMITED (IN) | 2017-02-23 | — | — | WO | disclosed |
| WO-2016012956-A1 | ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS | LUPIN LIMITED (IN) | 2016-01-28 | — | — | WO | disclosed |
| WO-2016012956-A1 | ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS | LUPIN LIMITED (IN) | 2016-01-28 | — | — | WO | disclosed |
| US-20090247770-A1 | PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS | MSD K.K. (JP) | 2009-10-01 | — | — | US | disclosed |
| US-20090247770-A1 | PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS | MSD K.K. (JP) | 2009-10-01 | — | — | US | disclosed |
| US-20090247770-A1 | PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS | MSD K.K. (JP) | 2009-10-01 | — | — | US | disclosed |
| WO-2008021029-A2 | PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-02-21 | — | — | WO | disclosed |