⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL30317810 | 0.93 | — | — | |
| SCHEMBL1506843 | 0.62 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL29242977 | 0.61 | — | — | |
| Propane SCHEMBL10956924 | 0.61 | TSHR (0.43) | — | |
| Propane SCHEMBL9246294 | 0.61 | — | — | |
| Propane SCHEMBL9248656 | 0.61 | TSHR (0.43) | — | |
| Propane SCHEMBL286506 | 0.61 | — | — | |
| Propane SCHEMBL1021 | 0.61 | — | — | |
| Propane SCHEMBL4449197 | 0.55 | — | — | |
| Propane SCHEMBL7711629 | 0.55 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8778966-B2 | Quinolinone derivatives as PARP and tank inhibitors | JANSSEN PHARMACEUTICA, NV (BE) | 2014-07-15 | — | — | US | disclosed |
| US-20130018017-A1 | QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS | VIALARD JORGE EDUARDO (BE) | 2013-01-17 | — | — | US | disclosed |
| US-8299256-B2 | Quinolinone derivatives as PARP and TANK inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2012-10-30 | — | — | US | disclosed |
| US-20100168065-A1 | QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-07-01 | — | — | US | disclosed |