⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5664697 | 1.00 | ALDH1A1 (0.56) | — | |
| SCHEMBL27914012 | 0.97 | — | — | |
| SCHEMBL28289411 | 0.97 | — | — | |
| Methylamine SCHEMBL7760765 | 0.94 | — | — | |
| Ethylene Glycol SCHEMBL20913728 | 0.94 | ALDH1A1 (0.50) | — | |
| Ethyl Acetate SCHEMBL11722608 | 0.88 | ALDH1A1 (0.78) | — | |
| SCHEMBL29101479 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL20913716 | 0.82 | MEN1 (0.52) | — | |
| Tromethamine SCHEMBL4431533 | 0.80 | LMNA (0.46) | — | |
| SCHEMBL181021 | 0.76 | — | — |
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 3721 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-115184483-B | Two-dimensional screening method for active ingredients of traditional Chinese medicine | 浙江工业大学 | 2024-05-03 | — | — | CN | claimed |
| CN-117777074-A | Purification method of effective ingredient formula of known cellulitis | 唐宁医药科技(济南)有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-117652615-A | Method for removing phthalate compounds from food extract | 浙江大学 | 2024-03-08 | — | — | CN | claimed |
| CN-114344216-B | Preparation method and application of lithospermum root extract with stable color | 浙江宜格企业管理集团有限公司 | 2024-02-13 | — | — | CN | claimed |
| CN-116990399-A | System and method for detecting and monitoring lotus alkaloid content in different lotus | 北京电子科技职业学院 | 2023-11-03 | — | — | CN | claimed |
| CN-116818927-A | System and method for detecting and monitoring N-nornuciferine content in different lotus | 北京电子科技职业学院 | 2023-09-29 | — | — | CN | claimed |
| CN-116789662-A | Method for separating and purifying alkaloid compounds in phellodendron amurense by high-speed countercurrent chromatography | 山东省分析测试中心 | 2023-09-22 | — | — | CN | claimed |
| CN-112409313-B | Method for extracting galangin from galangal by high temperature-ethanol combination | 海南医学院 | 2023-09-01 | — | — | CN | claimed |
| US-20230242568-A1 | POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES | MIRECA MEDICINES GMBH (DE) | 2023-08-03 | — | — | US | claimed |
| CN-111344279-B | Microbiocidal picolinamide derivatives | 先正达参股股份有限公司 | 2023-07-07 | — | — | CN | claimed |
| US-5151521-A | 1-aminoethyl phosphonic acid derivatives | MERCK & CO., INC. (US) | 1992-09-29 | — | — | US | claimed |
| EP-0229566-B1 | 1-BENZENE SULFONYL 2-OXO-5-ALKOXY PYRROLIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINE AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1992-05-06 | — | — | EP | claimed |
| US-5089392-A | Medical diagnosis | THE UNITED STATES OF AMERICA AS REPRESENTED BY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1992-02-18 | — | — | US | claimed |
| US-5061806-A | Phosphinic acid derivatives | MERCK & CO., INC. (US) | 1991-10-29 | — | — | US | claimed |
| EP-0394737-A1 | Aqueous-based coating compositions comprising anionic polyurethane principal resin and anionic acrylic grind resin | BASF Corporation (US) | 1990-10-31 | — | — | EP | claimed |
| US-4914129-A | Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups | CIBA-GEIGY CORPORATION (US) | 1990-04-03 | — | — | US | claimed |
| US-4889869-A | ANTIALDOSTERONISM AGENTS | CIBA-GEIGY CORPORATION (US) | 1989-12-26 | — | — | US | claimed |
| US-4873228-A | 2-oxo-4-carboxy-pyrimidines and their use as anti-malaria and anti-cancer agents | THE UNIVERSITY OF MELBOURNE (AU) | 1989-10-10 | — | — | US | claimed |
| US-4758584-A | Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups | CIBA-GEIGY CORPORATION (US) | 1988-07-19 | — | — | US | claimed |
| US-4077944-A | Catalytic production of polyesters | UNION CARBIDE CORPORATION (US) | 1978-03-07 | — | — | US | claimed |