⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14992267 | 0.81 | — | — | |
| SCHEMBL4964904 | 0.78 | — | — | |
| SCHEMBL14991649 | 0.75 | — | — | |
| SCHEMBL5961122 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL5961025 | 0.63 | CYP2C19 (0.35) | — | |
| SCHEMBL10092715 | 0.61 | — | — | |
| SCHEMBL277039 | 0.61 | — | — | |
| SCHEMBL4596335 | 0.61 | — | — | |
| SCHEMBL31512505 | 0.61 | — | — | |
| SCHEMBL4740 | 0.61 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024017856-A1 | NOVEL ISOQUINOLINONE, PYRROLOPYRIDINONE AND THIENOPYRIDINONE SULFONAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2024-01-25 | — | — | WO | disclosed |
| US-20240025883-A1 | PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2024-01-25 | — | — | US | disclosed |
| EP-4298092-A1 | NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2024-01-03 | — | — | EP | disclosed |
| CN-116829550-A | Pyrimidine-2-ylsulfonamide derivatives | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |
| EP-2785695-B1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-06-17 | — | — | EP | disclosed |
| US-9133158-B2 | Bicyclic dihydroisoquinoline-1-one derivatives | HOFFMAN-LA ROCHE INC. (US) | 2015-09-15 | — | — | US | disclosed |
| EP-2785695-A1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-08 | — | — | EP | disclosed |
| US-20130143863-A1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-06-06 | — | — | US | disclosed |
| WO-2013079452-A1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-06-06 | — | — | WO | disclosed |