⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9639947 | 1.00 | — | — | |
| SCHEMBL17027943 | 1.00 | CA1 (0.36) | — | |
| SCHEMBL8715416 | 1.00 | CA1 (0.36) | — | |
| SCHEMBL2009308 | 1.00 | CA1 (0.36) | — | |
| Water SCHEMBL303842 | 0.95 | CA1 (0.33) | — | |
| Water SCHEMBL7785499 | 0.95 | — | — | |
| Water SCHEMBL60219 | 0.95 | — | — | |
| Water SCHEMBL9137493 | 0.95 | — | — | |
| Bicarbonate SCHEMBL21796223 | 0.95 | CA1 (0.46) | — | |
| SCHEMBL678902 | 0.95 | — | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109320498-B | Preparation method of 3-bromo-1- (3-chloro-2-pyridyl) -1H-pyrazole-5-alkyl formate | 利尔化学股份有限公司 | 2021-08-17 | — | — | CN | claimed |
| US-20200388880-A1 | SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE ADDITIVE COMPOUNDS | ENEVATE CORPORATION | 2020-12-10 | — | — | US | claimed |
| CN-109320498-A | The bromo- 1-(3- chloro-2-pyridyl of 3-) -1H- pyrazoles -5- formic acid alkyl ester preparation method | 利尔化学股份有限公司 | 2019-02-12 | — | — | CN | claimed |
| CN-104271549-B | It is a kind of new to prepare vitamin B6Midbody compound | 帝斯曼知识产权资产管理有限公司 | 2017-07-04 | — | — | CN | claimed |
| WO-2017064723-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF ARMODAFINIL | NATCO PHARMA LTD (IN) | 2017-04-20 | — | — | WO | claimed |
| US-7365218-B2 | Process for preparing guggulsterones | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2008-04-29 | — | — | US | claimed |
| US-20040186306-A1 | Process for preparing Guggulsterones | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH | 2004-09-23 | — | — | US | claimed |
| WO-2004060906-A1 | PROCESS FOR PREPARING GUGGULSTERONES | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-07-22 | — | — | WO | claimed |
| CN-117177979-A | Cyclic dibenzyl tetrahydroisoquinoline compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-12-05 | — | — | CN | disclosed |
| US-11742519-B2 | Silicon-based energy storage devices with electrolyte additive compounds | ENEVATE CORPORATION (US) | 2023-08-29 | — | — | US | disclosed |
| US-11731965-B2 | Tetrahydroprotoberberine compound, preparation method therefor and uses thereof, and pharmaceutical composition | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2023-08-22 | — | — | US | disclosed |
| WO-2023104213-A1 | CYCLIC BISBENZYL TETRAHYDROISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2023-06-15 | — | — | WO | disclosed |
| CN-116253740-A | Cyclic dibenzyl isoquinoline compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-06-13 | — | — | CN | disclosed |
| CN-115753300-A | Ink jet deposition of reagents for histological samples | 文塔纳医疗系统公司 | 2023-03-07 | — | — | CN | disclosed |
| WO-2005075342-A1 | CATALYTIC REACTION BETWEEN METHANOL AND A PEROXIDE | ISIS INNOVATION LIMITED (GB) | 2005-08-18 | — | — | WO | disclosed |
| US-20040186306-A1 | Process for preparing Guggulsterones | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH | 2004-09-23 | — | — | US | disclosed |
| WO-2004060906-A1 | PROCESS FOR PREPARING GUGGULSTERONES | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-07-22 | — | — | WO | disclosed |
| US-6482385-B2 | DRY PARTICULATE SODIUM PERCARBONATE PRODUCED WITHOUT ADDITION OF CHLORIDE SALTING-OUT AGENT IN WHICH DISSOLUTION STEP IS CONTROLLED TO RESTRICT SODIUM CARBONATE CONCENTRATION | SOLVAY INTEROX (SOCIETE ANONYME) (BE) | 2002-11-19 | — | — | US | disclosed |
| US-20010014306-A1 | Process for producing a percarbonate | SOLVAY CHIMIE, S.A. (BE) | 2001-08-16 | — | — | US | disclosed |
| US-4329244-A | COLD WATER DETERGENTS | INTEROX (SOCIETE ANONYME) (BE) | 1982-05-11 | — | — | US | disclosed |