⚠ 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 | |
|---|---|---|---|---|
| 2-Pentanol SCHEMBL14956 | 1.00 | — | — | |
| 2-Pentanol SCHEMBL17511847 | 1.00 | TSHR (0.53) | — | |
| 2-Pentanol SCHEMBL469224 | 1.00 | — | — | |
| 2-Pentanol SCHEMBL31375664 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL841726 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL5141639 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL28809354 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL1782096 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL11046874 | 0.96 | TSHR (0.50) | — | |
| 2-Pentanol SCHEMBL27700401 | 0.96 | — | — |
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 455 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119667035-A | Method for rapidly detecting chiral substances in white spirit and fermented grains and application | 宜宾五粮液股份有限公司 | 2025-03-21 | — | — | CN | claimed |
| CN-116444570-A | Preparation method of cyclotri-o-dimethylhydroquinone hydrocarbon derivative eutectic material and application of cyclotri-o-dimethylhydroquinone hydrocarbon derivative eutectic material in molecular eutectic and structure identification | 南京晶立得科技有限公司 | 2023-07-18 | — | — | CN | claimed |
| US-11424006-B2 | Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide | PSOMAGEN, INC. (US) | 2022-08-23 | — | — | US | claimed |
| CN-111163761-A | Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide | 普梭梅根公司 | 2020-05-15 | — | — | CN | claimed |
| US-20190038631-A1 | 6-AMINO-PURIN-8-ONE COMPOUNDS | GLAXOSMITHKLINE LLC | 2019-02-07 | — | — | US | claimed |
| US-10117873-B2 | 6-amino-purin-8-one compounds | GLAXOSMITHKLINE LLC (US) | 2018-11-06 | — | — | US | claimed |
| US-20180291026-A1 | ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS | GLAXOSMITHKLINE BIOLOGICALS SA (BE) | 2018-10-11 | — | — | US | claimed |
| CN-108440240-A | A kind of synthetic method of high-purity (S)-(+) -2- amylalcohols | 上海阿拉丁生化科技股份有限公司 | 2018-08-24 | — | — | CN | claimed |
| EP-3336089-A1 | PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES | GlaxoSmithKline LLC (US) | 2018-06-20 | — | — | EP | claimed |
| US-20180117048-A1 | 6-AMINO-PURIN-8-ONE COMPOUNDS | GLAXOSMITHKLINE LLC | 2018-05-03 | — | — | US | claimed |
| EP-2320905-A1 | NOVEL ADENINE DERIVATIVES | Smithkline Beecham Corporation (US) | 2011-05-18 | — | — | EP | claimed |
| EP-2270178-A2 | Method for producing alcohol and carboxylic acid having optical activity | API Corporation (JP) | 2011-01-05 | — | — | EP | claimed |
| EP-2125792-B1 | PURINE DERIVATIVES AS IMMUNOMODULATORS | GLAXOSMITHKLINE LLC (US) | 2010-12-01 | — | — | EP | claimed |
| US-20100120799-A1 | PURINE DERIVATIVES AS IMMUNOMODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2010-05-13 | — | — | US | claimed |
| WO-2010018131-A1 | PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-18 | — | — | WO | claimed |
| WO-2010018134-A1 | NOVEL ADENINE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-18 | — | — | WO | claimed |
| US-20090131458-A1 | Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-21 | — | — | US | claimed |
| US-20080233621-A1 | Method For Producing Alcohol and Carboxylic Acid Having Optical Activity | API CORPORATION (JP) | 2008-09-25 | — | — | US | claimed |
| CN-1950508-A | Process for producing optically active alcohol and carboxylic acid | API CORP (JP) | 2007-04-18 | — | — | CN | claimed |
| EP-1712630-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AND CARBOXYLIC ACID | API Corporation (JP) | 2006-10-18 | — | — | EP | claimed |