⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL17534909 | 0.93 | — | — | |
| Fluoride SCHEMBL10785799 | 0.93 | — | — | |
| Ethane SCHEMBL2525896 | 0.93 | — | — | |
| Ethane SCHEMBL3576799 | 0.87 | — | — | |
| SCHEMBL11736102 | 0.83 | — | — | |
| Propane SCHEMBL2524916 | 0.82 | — | — | |
| SCHEMBL27555552 | 0.78 | — | — | |
| Dimethylamine SCHEMBL11660216 | 0.78 | — | — | |
| SCHEMBL7406226 | 0.72 | — | — | |
| SCHEMBL19508714 | 0.72 | — | — |
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 236 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232117-B | Substituted isoxazole pyrimidine amine compound, preparation method and application thereof | 沈阳中化农药化工研发有限公司 | 2024-07-16 | — | — | CN | claimed |
| US-20210015100-A1 | SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2021-01-21 | — | — | US | claimed |
| EP-3719015-A1 | SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) | 2020-10-07 | — | — | EP | claimed |
| CN-111263757-A | Substituted pyrimidine compound and preparation method and application thereof | 沈阳中化农药化工研发有限公司 | 2020-06-09 | — | — | CN | claimed |
| CN-110447406-A | A kind of fixed device of grafting and engrafting method | XU YUEYANG | 2019-11-15 | — | — | CN | claimed |
| CN-106866532-B | The synthetic method of pyrazosulfuron intermediate 4- carbethoxyl group -5- sulfoamido -1- methylpyrazole | 江苏省农用激素工程技术研究中心有限公司 | 2019-06-25 | — | — | CN | claimed |
| CN-106397797-B | A kind of gold-MOFs- composite membrane of polymer and the preparation method and application thereof | 山东师范大学 | 2018-11-13 | — | — | CN | claimed |
| CN-106866532-A | The synthetic method of the methylpyrazole of 4 carbethoxyl group of pyrazosulfuron intermediate, 5 sulfoamido 1 | 江苏省农用激素工程技术研究中心有限公司 | 2017-06-20 | — | — | CN | claimed |
| CN-102675173-A | Chemical synthesis method of valnemulin hydrochloride | HUBEI QIDA PHARMACEUTICAL CO LTD | 2012-09-19 | — | — | CN | claimed |
| CN-102432510-A | Synthesis method of dimethyl cysteamine hydrochloride | SHANDONG SHENGLI CO LTD | 2012-05-02 | — | — | CN | claimed |
| EP-1292579-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2003-03-19 | — | — | EP | claimed |
| JP-2002544263-A | — | — | 2002-12-24 | — | — | JP | claimed |
| EP-1178971-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS | Pharmacia Corporation (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2001087854-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |
| WO-2001087842-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | claimed |
| WO-2001068605-A1 | POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-09-20 | — | — | WO | claimed |
| WO-2000069833-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS | PHARMACIA CORPORATION (US) | 2000-11-23 | — | — | WO | claimed |
| WO-1995020637-A2 | HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS | MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) | 1995-08-03 | — | — | WO | claimed |
| EP-0004320-B1 | 1-SUBSTITUTED-THIOMETHYLTRIAZOLOBENZODIAZEPINES, PREPARATION THEREOF, THEIR USE, AND A PHARMACEUTICAL COMPOSITION | SHIONOGI & CO., LTD. (JP) | 1981-12-16 | — | — | EP | claimed |
| US-4068071-A | DISULFIDING, SOLVOLYSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1978-01-10 | — | — | US | claimed |