⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3404701 | 0.82 | — | — | |
| SCHEMBL11490796 | 0.80 | — | — | |
| SCHEMBL11490800 | 0.80 | — | — | |
| SCHEMBL23029519 | 0.79 | — | — | |
| SCHEMBL30162714 | 0.78 | CA12 (0.35) | — | |
| SCHEMBL6993119 | 0.78 | IDO1 (0.38) | — | |
| SCHEMBL13543693 | 0.77 | GABRP (0.36) | — | |
| SCHEMBL12779117 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL21911843 | 0.77 | IDO1 (0.37) | — | |
| SCHEMBL23599024 | 0.77 | KDM4A (0.33) | — |
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 284 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3661941-B1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | claimed |
| EP-3672952-B1 | BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | claimed |
| US-20220306588-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-09-29 | — | — | US | claimed |
| US-11453647-B2 | Benzimidazole derivatives as adenosine receptor antagonists | MERCK PATENT GMBH (DE) | 2022-09-27 | — | — | US | claimed |
| US-11192899-B2 | Quinoxaline derivatives as adenosine receptor antagonists | MERCK PATENT GMBH (DE) | 2021-12-07 | — | — | US | claimed |
| US-11186592-B2 | Thiazolopyridine derivatives as adenosine receptor antagonists | MERCK PATENT GMBH (DE) | 2021-11-30 | — | — | US | claimed |
| US-20200354375-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-11-12 | — | — | US | claimed |
| US-20200207720-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-07-02 | — | — | US | claimed |
| EP-3672952-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | claimed |
| EP-3672951-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | claimed |
| EP-3661941-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-06-10 | — | — | EP | claimed |
| CN-110944994-A | Quinoxaline derivatives as adenosine receptor antagonists | 默克专利股份公司 | 2020-03-31 | — | — | CN | claimed |
| WO-2019038215-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | claimed |
| WO-2019038214-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | claimed |
| WO-2019025099-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-07 | — | — | WO | claimed |
| EP-2731932-B1 | AMINOMETHYL QUINOLONE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2015-12-30 | — | — | EP | claimed |
| EP-2731932-A1 | AMINOMETHYL QUINOLONE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-05-21 | — | — | EP | claimed |
| US-8501732-B2 | Aminomethyl quinolone compounds | HOFFMANN-LA ROCHE INC. (US) | 2013-08-06 | — | — | US | claimed |
| US-20130018043-A1 | AMINOMETHYL QUINOLONE COMPOUNDS | BILOTTA JOSEPH A (US) | 2013-01-17 | — | — | US | claimed |
| WO-2013007676-A1 | AMINOMETHYL QUINOLONE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-01-17 | — | — | WO | claimed |