⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726077 | 1.00 | — | — | |
| SCHEMBL43435 | 1.00 | — | — | |
| SCHEMBL5157730 | 0.97 | — | — | |
| SCHEMBL28807781 | 0.97 | — | — | |
| SCHEMBL28303016 | 0.97 | — | — | |
| Water SCHEMBL28142347 | 0.97 | — | — | |
| SCHEMBL11691733 | 0.97 | — | — | |
| SCHEMBL5161651 | 0.97 | — | — | |
| Ethane SCHEMBL27325770 | 0.97 | SLC22A6 (0.41) | — | |
| SCHEMBL15895246 | 0.87 | CACNA2D1 (0.40) | — |
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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115247210-A | Application of cerebral ischemia reperfusion injury biomarker and Naoxintong | 浙江中医药大学 | 2022-10-28 | — | — | CN | claimed |
| CN-107418349-A | A kind of anti-blown sand coating | 丁玉琴 | 2017-12-01 | — | — | CN | claimed |
| CN-101864458-B | R-3-hydroxybutyrate methyl ester biosynthesis preparation method | SHENZHEN ECOMANN BIOTECHNOLOGY CO LTD | 2013-03-27 | — | — | CN | claimed |
| CN-101864458-A | R-3-hydroxybutyrate methyl ester biosynthesis preparation method | SHENZHEN ECOMANN BIOTECHNOLOGY CO LTD | 2010-10-20 | — | — | CN | claimed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | claimed |
| EP-0796247-A1 | (-)-(3R)-3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL]PHENOXY BUTYRIC ACID AS CELLULAR ADHESION INHIBITOR | ZENECA LIMITED (GB) | 1997-09-24 | — | — | EP | claimed |
| CN-1155884-A | (-)-(3R)-methyl-4-{-4-[4-(4-pyridyl)piperazin-1-YL]phenoxy} butyric acid as cellular adhesion inhibitor | ZENECA LTD (GB) | 1997-07-30 | — | — | CN | claimed |
| WO-1996038416-A1 | (-)-(3R)-3-METHYL-4-{4-[4-(4-PYRIDYL)PIPERAZIN-1-YL]PHENOXY} BUTYRIC ACID AS CELLULAR ADHESION INHIBITOR | ZENECA LIMITED (GB) | 1996-12-05 | — | — | WO | claimed |
| CN-118021983-A | Preparation method and application of intelligent environmental response type treatment system for hyperuricemia and gout | 宁波慈溪生物医学工程研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-115697056-A | Fungicidal compositions | 先正达农作物保护股份公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-115697055-A | Fungicidal compositions | 先正达农作物保护股份公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-115666241-A | Fungicidal compositions | 先正达农作物保护股份公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-115666239-A | Fungicidal compositions | 先正达农作物保护股份公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-115666238-A | Fungicidal compositions | 先正达农作物保护股份公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-1155884-A | (-)-(3R)-methyl-4-{-4-[4-(4-pyridyl)piperazin-1-YL]phenoxy} butyric acid as cellular adhesion inhibitor | ZENECA LTD (GB) | 1997-07-30 | — | — | CN | disclosed |
| US-5652242-A | 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN | ZENECA LIMITED (GB) | 1997-07-29 | — | — | US | disclosed |
| CN-1033584-C | Benzo-fused lactams that promote release of growth hormone | MERCK & CO INC (US) | 1996-12-18 | — | — | CN | disclosed |
| WO-1996038416-A1 | (-)-(3R)-3-METHYL-4-{4-[4-(4-PYRIDYL)PIPERAZIN-1-YL]PHENOXY} BUTYRIC ACID AS CELLULAR ADHESION INHIBITOR | ZENECA LIMITED (GB) | 1996-12-05 | — | — | WO | disclosed |
| EP-0657440-A1 | Oxazolidine-2-one derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-06-14 | — | — | EP | disclosed |
| CN-1061407-A | Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists | MERCK FROSST CANADA INC (CA) | 1992-05-27 | — | — | CN | disclosed |