⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL656015 | 0.91 | CHRM1 (0.36) | — | |
| SCHEMBL30279 | 0.88 | — | — | |
| SCHEMBL8488441 | 0.85 | — | — | |
| SCHEMBL11568004 | 0.84 | — | — | |
| Pyridine SCHEMBL27438817 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL286723 | 0.79 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL2779128 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL628200 | 0.75 | TDP1 (0.43) | — | |
| SCHEMBL176693 | 0.73 | — | — | |
| Ethylmalonate SCHEMBL107241 | 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
Appears in 2391 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118356812-A | Ternary polymerization polyamide composite membrane and preparation method and application thereof | 南京工业大学 | 2024-07-19 | — | — | CN | claimed |
| US-11286238-B2 | Melatonin derivatives, method thereof, and use thereof | Li, Yufei (CN) | 2022-03-29 | — | — | US | claimed |
| US-20210323917-A1 | MELATONIN DERIVATIVES, METHOD THEREOF, AND USE THEREOF | XIAMEN NUOKANGDE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) | 2021-10-21 | — | — | US | claimed |
| CN-106749052-B | Preparation method of clobazam | 济南科汇医药科技有限公司 | 2020-09-01 | — | — | CN | claimed |
| CN-103788070-B | The inhibitor class polymers of DPP 4 | 南京华威医药科技开发有限公司 | 2017-10-20 | — | — | CN | claimed |
| CN-106800519-A | Ultrasonic radiation method Fast back-projection algorithm bridging type pair, the universal method of three, four amide derivatives and application | 中南民族大学 | 2017-06-06 | — | — | CN | claimed |
| CN-103788070-A | DPP-4 inhibitor polymer | NANJING HUAWE MEDICAL TECHNOLOGY DEV CO LTD | 2014-05-14 | — | — | CN | claimed |
| EP-0936218-B1 | BENZIMIDAZOLE DERIVATIVES | MOCHIDA PHARM CO LTD (JP) | 2003-04-02 | — | — | EP | claimed |
| WO-2001020995-A9 | COMPOUNDS DIRECTED AGAINST PILUS BIOGENESIS AND ACTIVITY IN PATHOGENIC BACTERIA; METHODS AND COMPOSITIONS FOR SYNTHESIS THEREOF | UNIV WASHINGTON (US) | 2002-11-14 | — | — | WO | claimed |
| US-6387938-B1 | Benzimidazole derivatives | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2002-05-14 | — | — | US | claimed |
| US-20020045751-A1 | Thyromimetic organic compounds | NOVARTIS AG (CH) | 2002-04-18 | — | — | US | claimed |
| WO-2001020995-A1 | COMPOUNDS DIRECTED AGAINST PILUS BIOGENESIS AND ACTIVITY IN PATHOGENIC BACTERIA; METHODS AND COMPOSITIONS FOR SYNTHESIS THEREOF | WASHINGTON UNIVERSITY (US) | 2001-03-29 | — | — | WO | claimed |
| EP-0936218-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1999-08-18 | — | — | EP | claimed |
| EP-0440329-A1 | S-substituted carbonyl substituted betathioacrylamide biocides and fungicides | ROHM AND HAAS COMPANY (US) | 1991-08-07 | — | — | EP | claimed |
| EP-0010426-A1 | Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof | ELI LILLY AND COMPANY (US) | 1980-04-30 | — | — | EP | claimed |
| US-6423486-B1 | — | — | None | — | — | US | disclosed |
| JP-9100267-A | — | — | None | — | — | JP | disclosed |
| US-3976681-A | DIURETIC, SALURETIC, URICOSURIC | MERCK & CO., INC. (US) | 1976-08-24 | — | — | US | disclosed |
| US-3966966-A | DIURETICS | MERCK & CO., INC. (US) | 1976-06-29 | — | — | US | disclosed |
| US-3965118-A | Lactone intermediates | THE UPJOHN COMPANY (US) | 1976-06-22 | — | — | US | disclosed |