⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20377261 | 0.91 | — | — | |
| 1-Bromobutane SCHEMBL1249759 | 0.89 | DNM1 (0.35) | — | |
| SCHEMBL6230097 | 0.88 | LCK (0.48) | — | |
| SCHEMBL11022142 | 0.88 | LCK (0.48) | — | |
| SCHEMBL3805670 | 0.88 | LCK (0.48) | — | |
| SCHEMBL6791289 | 0.88 | LCK (0.48) | — | |
| SCHEMBL7069579 | 0.88 | LCK (0.48) | — | |
| SCHEMBL23871 | 0.87 | DNM1 (0.33) | — | |
| SCHEMBL16197948 | 0.80 | — | — | |
| SCHEMBL17333330 | 0.75 | — | — |
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-111266021-A | Cellulose acetate based polyion liquid and preparation method and application thereof | 天津工业大学 | 2020-06-12 | — | — | CN | claimed |
| CN-111484602-B | 1,3,6,8-tetra (p-formylphenyl) pyrene-based conjugated microporous polymer and preparation method thereof | 台州学院 | 2023-01-06 | — | — | CN | disclosed |
| CN-112851579-A | Ligand compound for copper-catalyzed halogenated aromatic hydrocarbon coupling reaction, catalytic system and coupling reaction | 衡阳师范学院 | 2021-05-28 | — | — | CN | disclosed |
| CN-108959855-B | Computer coding method for screening reagent of DNA coding compound library | 上海药明康德新药开发有限公司 | 2021-05-18 | — | — | CN | disclosed |
| US-10759765-B2 | Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute | CE PHARM CO., LTD. (CN) | 2020-09-01 | — | — | US | disclosed |
| CN-110386855-A | 1- halogenated dienes and the method for preparing it and 16 carbon diene yl acetate of (9E, 11Z) -9,11- | 信越化学工业株式会社 | 2019-10-29 | — | — | CN | disclosed |
| CN-110167977-A | Conjugated diene polymer, conjugated diene polymer composition and tire | 日本弹性体株式会社 | 2019-08-23 | — | — | CN | disclosed |
| US-10301330-B2 | N, C-chelate four-coordinate organoborons with full colourtunability | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2019-05-28 | — | — | US | disclosed |
| US-20190127337-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE | CE PHARM CO., LTD. (CN) | 2019-05-02 | — | — | US | disclosed |
| CN-109476778-A | The manufacturing method of modified conjugated diene polymer, modified conjugated diene polymer composition, tire and modified conjugated diene polymer | 日本弹性体株式会社 | 2019-03-15 | — | — | CN | disclosed |
| US-20130165658-A1 | PROCESS FOR THE PREPARATION OF IODIDES | TECHNION R&D FOUNDATION LTD. (IL) | 2013-06-27 | — | — | US | disclosed |
| WO-2011154953-A1 | PROCESS FOR THE PREPARATION OF IODIDES | TECHNION R&D FOUNDATION LTD. (IL) | 2011-12-15 | — | — | WO | disclosed |
| US-20110207957-A1 | PROCESSES FOR THE PREPARATION OF BIPHENYL COMPOUNDS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-08-25 | — | — | US | disclosed |
| EP-2139522-A2 | MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS | Colby Pharmaceutical Company (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2009137322-A2 | PROCESSES FOR THE PREPARATION OF BIPHENYL COMPOUNDS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2009-11-12 | — | — | WO | disclosed |
| US-7595417-B2 | Cyanation of aromatic halides | MERCK & CO., INC. (US) | 2009-09-29 | — | — | US | disclosed |
| WO-2008109740-A2 | MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS | COLBY PHARMACEUTICAL COMPANY (US) | 2008-09-12 | — | — | WO | disclosed |
| US-20060106223-A1 | Cyanation of aromatic halides | MERCK SHARP & DOHME CORP. | 2006-05-18 | — | — | US | disclosed |
| US-5401888-A | Reaction of vinyl epoxide with aryl halide, vinyl halide or vinyl sulfonate | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1995-03-28 | — | — | US | disclosed |
| US-4181659-A | Bis-penicillanoyloxy-alkanes | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1980-01-01 | — | — | US | disclosed |