⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL942875 | 0.75 | — | — | |
| Ethyne SCHEMBL27955364 | 0.74 | ACHE (0.50) | — | |
| SCHEMBL45406 | 0.73 | — | — | |
| SCHEMBL29352330 | 0.73 | — | — | |
| SCHEMBL1860106 | 0.73 | — | — | |
| SCHEMBL5052371 | 0.73 | — | — | |
| Cyanide SCHEMBL27553733 | 0.72 | ACHE (0.47) | — | |
| SCHEMBL9062627 | 0.70 | — | — | |
| SCHEMBL31435867 | 0.70 | — | — | |
| Lithium SCHEMBL31490346 | 0.70 | — | — |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111205239-A | 1,2, 4-oxadiazole-5-imine derivative and synthetic method thereof | 湖北科技学院 | 2020-05-29 | — | — | CN | claimed |
| CN-109468306-A | A kind of method of immobilized enzyme catalysis benzylidene malononitrile derivative synthesis 4H- pyrans pharmaceutical intermediate | 北京化工大学 | 2019-03-15 | — | — | CN | claimed |
| CN-102557969-B | Cyclic ketone derivatives and applications thereof as developers and aggregation inhibitors of amyloid protein sediments and neurofibrillary tangles | USTC UNIV SCIENCE TECH CN | 2015-03-18 | — | — | CN | claimed |
| US-20100056545-A1 | NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2010-03-04 | — | — | US | claimed |
| US-20070299100-A1 | Analgesic | TORAY INDUSTRIES, INC. (JP) | 2007-12-27 | — | — | US | claimed |
| EP-1820505-A1 | ANALGESIC | TORAY INDUSTRIES, INC. (JP) | 2007-08-22 | — | — | EP | claimed |
| CN-111205239-A | 1,2, 4-oxadiazole-5-imine derivative and synthetic method thereof | 湖北科技学院 | 2020-05-29 | — | — | CN | disclosed |
| US-20190330192-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-10-31 | — | — | US | disclosed |
| EP-3558976-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | disclosed |
| CN-109053732-A | A kind of pair of fluorine replaces spiral shell [indolizine-pyrazoline] derivative and the preparation method and application thereof of the structure containing pyridazinone | 绍兴文理学院元培学院 | 2018-12-21 | — | — | CN | disclosed |
| CN-109053732-A | A kind of pair of fluorine replaces spiral shell [indolizine-pyrazoline] derivative and the preparation method and application thereof of the structure containing pyridazinone | 绍兴文理学院元培学院 | 2018-12-21 | — | — | CN | disclosed |
| EP-2168579-B1 | ORAL PREPARATION COMPRISING SPECIFIC ORGANIC ACID, AND METHOD FOR IMPROVEMENT IN DISSOLUTION PROPERTY AND CHEMICAL STABILITY OF ORAL PREPARATION | TORAY INDUSTRIES (JP) | 2017-10-11 | — | — | EP | disclosed |
| CN-107213150-A | A kind of washing-free antibacterial gel and preparation method thereof | 中国人民解放军第四军医大学 | 2017-09-29 | — | — | CN | disclosed |
| WO-2005030209-A1 | PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2005-04-07 | — | — | WO | disclosed |
| EP-1135428-A1 | HYDROPHOBICALLY MODIFIED COMB COPOLYMERS | HERCULES INCORPORATED (US) | 2001-09-26 | — | — | EP | disclosed |
| US-6162877-A | Hydrophobically modified comb copolymers | HERCULES INCORPORATED (US) | 2000-12-19 | — | — | US | disclosed |
| WO-2000034361-A1 | HYDROPHOBICALLY MODIFIED COMB COPOLYMERS | HERCULES INCORPORATED (US) | 2000-06-15 | — | — | WO | disclosed |
| EP-0609058-B1 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO CO (JP) | 1998-12-09 | — | — | EP | disclosed |
| US-5491167-A | INHIBITORS OF CHOLESTEROL BIOSYNTHESIS | SANKYO COMPANY, LIMITED (JP) | 1996-02-13 | — | — | US | disclosed |
| EP-0609058-A2 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO COMPANY LIMITED (JP) | 1994-08-03 | — | — | EP | disclosed |