⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9128 | 0.94 | — | — | |
| SCHEMBL1098239 | 0.92 | HRH3 (0.65) | — | |
| SCHEMBL25335245 | 0.92 | — | — | |
| SCHEMBL9399 | 0.92 | HRH3 (0.65) | — | |
| SCHEMBL2974911 | 0.86 | PAOX (0.46) | — | |
| SCHEMBL378107 | 0.86 | HRH3 (0.65) | — | |
| SCHEMBL5256004 | 0.83 | HRH3 (0.70) | — | |
| SCHEMBL9077 | 0.83 | HRH3 (0.70) | — | |
| SCHEMBL2092461 | 0.83 | HRH3 (0.70) | — | |
| SCHEMBL4490456 | 0.83 | HRH3 (0.70) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023141852-A1 | CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF | 益方生物科技(上海)股份有限公司 | 2023-08-03 | — | — | WO | disclosed |
| CN-111187257-B | RET receptor tyrosine kinase inhibitors | 山东理工职业学院 | 2021-03-16 | — | — | CN | disclosed |
| CN-111187257-A | RET receptor tyrosine kinase inhibitors | 山东理工职业学院 | 2020-05-22 | — | — | CN | disclosed |
| EP-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-9328138-B2 | HCV NS3 protease inhibitors | MSD ITALIA S.R.L. (IT) | 2016-05-03 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |
| EP-2780026-A2 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |
| CN-1809557-B | Compound | ASTRAZENECA AB | 2012-07-04 | — | — | CN | disclosed |
| US-7691867-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2010-04-06 | — | — | US | disclosed |
| EP-1613619-B1 | QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-03-26 | — | — | EP | disclosed |
| US-20060270692-A1 | Chemical compounds | ASTRAZENECA AB (SE) | 2006-11-30 | — | — | US | disclosed |
| EP-1613619-A1 | QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER | AstraZeneca AB (SE) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004094410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-11-04 | — | — | WO | disclosed |
| WO-2002092577-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2002-11-21 | — | — | WO | disclosed |