⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3284038 | 0.79 | HTR3E (0.58) | — | |
| SCHEMBL5174355 | 0.79 | HTR3E (0.58) | — | |
| SCHEMBL2477043 | 0.75 | — | — | |
| SCHEMBL2238457 | 0.75 | — | — | |
| SCHEMBL130894 | 0.75 | — | — | |
| SCHEMBL2477042 | 0.75 | — | — | |
| Pyridine SCHEMBL28299187 | 0.75 | TSHR (0.45) | — | |
| SCHEMBL9186168 | 0.73 | HTR3E (0.52) | — | |
| SCHEMBL670197 | 0.73 | ALDH1A1 (0.57) | — | |
| SCHEMBL670198 | 0.73 | ALDH1A1 (0.57) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4242202-A1 | BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) | 2023-09-13 | — | — | EP | disclosed |
| EP-3672952-B1 | BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | disclosed |
| WO-2022117016-A1 | HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 深圳微芯生物科技股份有限公司 | 2022-06-09 | — | — | WO | disclosed |
| US-20210094910-A1 | DRUG FOR TREATING TUMOR DISEASES AND HAVING ANTIBACTERIAL ANTIVIRUS ANTI-INFLAMMATORY EFFECTS | SHI JIANYOU (CN) | 2021-04-01 | — | — | US | disclosed |
| WO-2020224656-A1 | BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2020-11-12 | — | — | WO | disclosed |
| CN-103214476-B | One class contains 4-methyl isophthalic acid, carboxamidine derivatives of 2,3-thiadiazoles and its production and use | NANKAI UNIVERSITY (CN) | 2016-03-02 | — | — | CN | disclosed |
| CN-103214476-A | Formamidine derivatives containing 4-methyl-1,2,3-thiadiazole, and preparation methods and uses | UNIV NANKAI | 2013-07-24 | — | — | CN | disclosed |
| WO-2012069605-A1 | NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS | DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) | 2012-05-31 | — | — | WO | disclosed |
| US-8188100-B2 | Adenosine derivatives as A2A receptor agonists | NOVARTIS AG (CH) | 2012-05-29 | — | — | US | disclosed |
| US-7947837-B2 | dimeric and polymeric compounds based upon fused ring tetracarboxylic imides, used as electronic thin films on substrates; transistors | POLYERA CORPORATION (US) | 2011-05-24 | — | — | US | disclosed |
| US-7432279-B2 | 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same | WYETH (US) | 2008-10-07 | — | — | US | disclosed |
| US-20080167435-A1 | Organic semiconductor materials and methods of preparing and use thereof | USINVEST LLC | 2008-07-10 | — | — | US | disclosed |
| US-20080125454-A1 | preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale | WYETH (US) | 2008-05-29 | — | — | US | disclosed |
| US-20070082923-A1 | Process for the synthesis of compounds for selectin inhibition | WYETH | 2007-04-12 | — | — | US | disclosed |
| US-20070082880-A1 | Thieno [2,3-B] pyridine-5-carbonitriles as protein kinase inhibitors | WYETH | 2007-04-12 | — | — | US | disclosed |
| US-20070060582-A1 | 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases | FINK CYNTHIA A | 2007-03-15 | — | — | US | disclosed |
| EP-1757264-A2 | Cationic julolidine comprising azo compounds, dyeing compositions and process for dyeing keratin fibres | L'Oréal (FR) | 2007-02-28 | — | — | EP | disclosed |
| US-7183276-B2 | Azole compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-27 | — | — | US | disclosed |
| CN-1066739-C | Phosphonic diester deriv | OTSUKA PHARMA CO LTD (JP) | 2001-06-06 | — | — | CN | disclosed |
| CN-1147257-A | Phosphonic diester deriv | OTSUKA PHARMA CO LTD (JP) | 1997-04-09 | — | — | CN | disclosed |