⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2306243 | 0.73 | — | — | |
| SCHEMBL5780337 | 0.73 | — | — | |
| SCHEMBL6130189 | 0.73 | — | — | |
| SCHEMBL11839327 | 0.73 | — | — | |
| SCHEMBL4492370 | 0.72 | — | — | |
| SCHEMBL1068476 | 0.69 | — | — | |
| SCHEMBL2394984 | 0.69 | — | — | |
| SCHEMBL6242583 | 0.69 | — | — | |
| SCHEMBL246274 | 0.69 | — | — | |
| SCHEMBL4740 | 0.69 | — | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110679008-A | Shape conforming alkali metal-sulfur battery | 纳米技术仪器公司 | 2020-01-10 | — | — | CN | claimed |
| US-20230348438-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2023-11-02 | — | — | US | disclosed |
| CN-113493543-A | Conjugated diene polymer, process for producing the same, and rubber composition | 旭化成株式会社 | 2021-10-12 | — | — | CN | disclosed |
| CN-113372630-A | Conjugated diene polymer composition and tire | 旭化成株式会社 | 2021-09-10 | — | — | CN | disclosed |
| US-20200317644-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2020-10-08 | — | — | US | disclosed |
| CN-106414375-B | Improvements in or relating to compounds | 奇华顿股份有限公司 | 2019-10-22 | — | — | CN | disclosed |
| EP-3524599-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2019-08-14 | — | — | EP | disclosed |
| US-20180346449-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2018-12-06 | — | — | US | disclosed |
| EP-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |
| US-9585392-B2 | 3-phenylisoxazolin derivatives with herbicidal action | BAYER CROPSCIENCE AG (DE) | 2017-03-07 | — | — | US | disclosed |
| US-8178727-B2 | Bis(arylmethylidene)acetone compound, anti-cancer agent, carcinogenesis-preventive agent, inhibitor of expression of Ki-Ras, ErbB2, c-Myc and Cycline D1, β-catenin-degrading agent, and p53 expression enhancer | NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) | 2012-05-15 | — | — | US | disclosed |
| EP-1910375-B1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK SHARP & DOHME (US) | 2011-05-11 | — | — | EP | disclosed |
| US-7935712-B2 | Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-05-03 | — | — | US | disclosed |
| US-20100152493-A1 | BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER | SHIBATA, HIROYUKI (JP) | 2010-06-17 | — | — | US | disclosed |
| US-20090131464-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK SHARP & DOHME LLC | 2009-05-21 | — | — | US | disclosed |
| US-7410976-B2 | Spirochromanone derivatives | MERCK & CO., INC. (US) | 2008-08-12 | — | — | US | disclosed |
| EP-1910375-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011809-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |
| US-20070021453-A1 | Novel spirochromanone derivatives | MERCK SHARP & DOHME LLC | 2007-01-25 | — | — | US | disclosed |
| US-4025641-A | INSECTICIDES, ACARICIDES | SANDOZ LTD. (CH) | 1977-05-24 | — | — | US | disclosed |