⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18550841 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL17459947 | 0.65 | — | — | |
| SCHEMBL12864026 | 0.55 | — | — | |
| SCHEMBL38661818 | 0.55 | — | — | |
| SCHEMBL17958953 | 0.51 | — | — | |
| SCHEMBL12183269 | 0.49 | — | — | |
| SCHEMBL936581 | 0.48 | — | — | |
| SCHEMBL313750 | 0.47 | — | — | |
| SCHEMBL12183266 | 0.47 | — | — | |
| SCHEMBL16363809 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |