⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6508630 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL1078460 | 0.78 | SIGMAR1 (0.37) | — | |
| SCHEMBL151371 | 0.75 | — | — | |
| SCHEMBL8457 | 0.67 | KEAP1 (0.60) | — | |
| SCHEMBL1456336 | 0.66 | DAO (0.35) | — | |
| SCHEMBL5661980 | 0.66 | KEAP1 (0.58) | — | |
| SCHEMBL1101153 | 0.65 | — | — | |
| SCHEMBL297545 | 0.62 | SIGMAR1 (0.45) | — | |
| SCHEMBL37780 | 0.61 | — | — | |
| SCHEMBL14969239 | 0.61 | KEAP1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9051279-B2 | Substituted isoquinolinones and quinazolinones | NOVARTIS AG (CH) | 2015-06-09 | — | — | US | disclosed |
| EP-2516009-B1 | SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES | NOVARTIS AG (CH) | 2014-09-24 | — | — | EP | disclosed |
| US-20130281473-A1 | SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES | NOVARTIS AG (CH) | 2013-10-24 | — | — | US | disclosed |
| US-8440693-B2 | Substituted isoquinolinones and quinazolinones | NOVARTIS AG (CH) | 2013-05-14 | — | — | US | disclosed |
| EP-2516009-A1 | SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES | Novartis AG (CH) | 2012-10-31 | — | — | EP | disclosed |
| US-20110230457-A1 | Substituted Isoquinolinones and Quinazolinones | NOVARTIS AG (CH) | 2011-09-22 | — | — | US | disclosed |