⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL87729 | 0.91 | — | — | |
| SCHEMBL2671376 | 0.88 | CES2 (0.62) | — | |
| SCHEMBL1067552 | 0.88 | CES2 (0.62) | — | |
| SCHEMBL9188955 | 0.88 | CES2 (0.62) | — | |
| SCHEMBL336112 | 0.88 | CES2 (0.62) | — | |
| SCHEMBL336156 | 0.88 | CES2 (0.62) | — | |
| SCHEMBL1088139 | 0.88 | CES2 (0.62) | — | |
| SCHEMBL8371729 | 0.88 | CES2 (0.62) | — | |
| SCHEMBL28742939 | 0.88 | — | — | |
| SCHEMBL1066379 | 0.88 | CES2 (0.62) | — |
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 551 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113912484-A | 1,4, 6-trihydroxy-8-branched-chain-9, 10-anthraquinone compound and application thereof in preparation of bacteriostatic agent | 湖北省生物农药工程研究中心 | 2022-01-11 | — | — | CN | claimed |
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | claimed |
| EP-3728214-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2020-10-28 | — | — | EP | claimed |
| CN-111727185-A | Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances | 拜耳公司 | 2020-09-29 | — | — | CN | claimed |
| US-20200079765-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-12 | — | — | US | claimed |
| EP-3558975-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| CN-110267950-A | Substituted heteroaryl pyrrolones and its salt and its purposes as herbicidal active compounds | 拜耳作物科学股份公司 | 2019-09-20 | — | — | CN | claimed |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | claimed |
| EP-3256462-A1 | SUBSTITUTED 2-THIOIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS | Bayer CropScience Aktiengesellschaft (DE) | 2017-12-20 | — | — | EP | claimed |
| WO-2016128298-A1 | SUBSTITUTED 2-THIOIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-08-18 | — | — | WO | claimed |
| US-8722917-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2014-05-13 | — | — | US | claimed |
| US-20120289686-A1 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2012-11-15 | — | — | US | claimed |
| CN-101535296-A | 2-benzimidazolyl-6-morpholino-4-phenylpyrimidine derivatives as pi3k and mtor inhibitors for the treatment of proliferative disorders | ASTRAZENECA AB (SE) | 2009-09-16 | — | — | CN | claimed |
| EP-1976536-A2 | BORON-CONTAINING SMALL MOLECULES | Anacor Pharmaceuticals, Inc. (US) | 2008-10-08 | — | — | EP | claimed |
| CN-101014590-A | 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-08 | — | — | CN | claimed |
| CN-101010317-A | 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | claimed |
| WO-2007078340-A2 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2007-07-12 | — | — | WO | claimed |
| US-20070155699-A1 | Boron-containing small molecules | ANACOR PHARMACEUTICALS (US) | 2007-07-05 | — | — | US | claimed |
| US-20050197338-A1 | Substituted pyrazole urea compounds for the treatment of inflammation | PHARMACIA AND UPJOHN COMPANY LLC | 2005-09-08 | — | — | US | claimed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | claimed |