⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1078946 | 0.94 | ALDH1A1 (0.46) | — | |
| SCHEMBL60898 | 0.94 | — | — | |
| Water SCHEMBL27883112 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28252583 | 0.89 | — | — | |
| Lithium SCHEMBL10525716 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL29036899 | 0.89 | — | — | |
| SCHEMBL30536046 | 0.89 | — | — | |
| Fluoride SCHEMBL27859493 | 0.89 | — | — | |
| Bromide SCHEMBL29217212 | 0.89 | — | — | |
| SCHEMBL27458520 | 0.89 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103044430-B | Pyrrolodione-thiophene quinone compound, and preparation method and application thereof | CHINESE ACAD INST CHEMISTRY | 2015-04-29 | — | — | CN | claimed |
| EP-2778168-A1 | PYRROLO PYRROLEDIONE-THENEQUINONE COMPOUND, AND PREPARATION PROCESS AND USE THEREOF | Institute Of Chemistry, Chinese Academy Of Sciences (CN) | 2014-09-17 | — | — | EP | claimed |
| US-20140252341-A1 | PYRROLO PYRROLEDIONE-THENEQUINONE COMPOUND, AND PREPARATION PROCESS AND USE THEREOF | INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2014-09-11 | — | — | US | claimed |
| CN-103044430-A | Pyrrolodione-thiophene quinone compound, and preparation method and application thereof | CHINESE ACAD INST CHEMISTRY | 2013-04-17 | — | — | CN | claimed |
| CN-1128024-A | Process for preparing substituted 4, 6-diamino-5-cyanopyrimidines | CIBA GEIGY AG (CH) | 1996-07-31 | — | — | CN | claimed |
| CN-113929685-B | Preparation method of ibutenib intermediate | 鲁南制药集团股份有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-113929686-B | Preparation method of ibutenib | 鲁南制药集团股份有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-113929686-A | Preparation method of ibrutinib | 鲁南制药集团股份有限公司 | 2022-01-14 | — | — | CN | disclosed |
| CN-113929685-A | Preparation method of ibrutinib intermediate | 鲁南制药集团股份有限公司 | 2022-01-14 | — | — | CN | disclosed |
| CN-107930601-B | New composition of novel polymeric organically modified silica gel materials and use thereof | 苏州硒诺唯新新材料科技有限公司 | 2020-12-08 | — | — | CN | disclosed |
| CN-110698412-A | Preparation method of 4, 6-dichloropyrimidine | 苏州开元民生科技股份有限公司 | 2020-01-17 | — | — | CN | disclosed |
| CN-105008344-B | Bruton's tyrosine kinase inhibitor | 辉瑞公司 | 2017-07-25 | — | — | CN | disclosed |
| CN-1165536-C | Substituted pyrazole derivatives condensed with six-membered heterocyclic rings | — | 2004-09-08 | — | — | CN | disclosed |
| US-20030232860-A1 | Medicine comprising dicyanopyridine derivative | ASTELLAS PHARMA INC. (JP) | 2003-12-18 | — | — | US | disclosed |
| CN-1441783-A | Drug containing dicyanopyridine derivative | YAMANOUCHI PHARMA CO LTD (JP) | 2003-09-10 | — | — | CN | disclosed |
| US-6576159-B1 | Colorants, electroconductive materials; solubility, dissociation | HYDRO-QUEBEC | 2003-06-10 | — | — | US | disclosed |
| EP-1302463-A1 | MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |
| US-20030066988-A1 | Malononitrile-derivative anion salts, and their uses as ionic conducting materials | MICHOT CHRISTOPHE (FR) | 2003-04-10 | — | — | US | disclosed |
| US-6333425-B1 | IONIC COMPOUNDS DERIVED FROM MALONONITRILE IN WHICH ANIONIC CHARGE IS DELOCALIZED; EXCELLENT PROPERTIES OF SOLUBILITY AND DISSOCIATION | HYDRO-QUEBEC (CA) | 2001-12-25 | — | — | US | disclosed |
| CN-1128024-A | Process for preparing substituted 4, 6-diamino-5-cyanopyrimidines | CIBA GEIGY AG (CH) | 1996-07-31 | — | — | CN | disclosed |