⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6244171 | 1.00 | — | — | |
| SCHEMBL135300 | 1.00 | — | — | |
| SCHEMBL11128020 | 0.91 | TSHR (0.50) | — | |
| Sulfuric Acid SCHEMBL10406837 | 0.89 | SMN1; SMN2 (0.36) | — | |
| Sulfuric Acid SCHEMBL10406838 | 0.87 | SMN1; SMN2 (0.34) | — | |
| Propylene Oxide SCHEMBL580620 | 0.83 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL7321711 | 0.74 | — | — | |
| SCHEMBL19285854 | 0.74 | — | — | |
| SCHEMBL8397570 | 0.74 | — | — | |
| SCHEMBL18121363 | 0.74 | — | — |
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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115772154-B | Deuterium-substituted benzothiophene derivatives, preparation and application thereof | 上海交通大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-115772154-A | Deuterium-substituted benzothiophene derivative and preparation and application thereof | 上海交通大学 | 2023-03-10 | — | — | CN | disclosed |
| WO-2022002077-A1 | ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2022-01-06 | — | — | WO | disclosed |
| CN-113861161-A | Aryl aromatic heterocyclic derivative and preparation method and application thereof | 上海海和药物研究开发股份有限公司 | 2021-12-31 | — | — | CN | disclosed |
| US-20210017180-A1 | PYCLEN-BASED MACROCYCLIC LIGANDS, CHELATES THEREOF AND USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2021-01-21 | — | — | US | disclosed |
| WO-2020022892-A1 | TUBULYSIN DERIVATIVES AND METHODS FOR PREPARING THE SAME | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-01-30 | — | — | WO | disclosed |
| WO-2019185901-A1 | PYCLEN-BASED MACROCYCLIC LIGANDS, CHELATES THEREOF AND USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2019-10-03 | — | — | WO | disclosed |
| US-20180186814-A1 | TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL | SHIONOGI & CO., LTD. (JP) | 2018-07-05 | — | — | US | disclosed |
| US-10000684-B2 | Drilling fluid additive composition, and oil-based drilling fluid and use thereof | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2018-06-19 | — | — | US | disclosed |
| EP-3202871-B1 | DRILLING FLUID ADDITIVE COMPOSITION AND HIGH TEMPERATURE RESISTANT CLAY-FREE WHOLE-OIL-BASED DRILLING FLUID | CHINA UNIV OF PETROLEUM (BEIJING) (CN) | 2018-03-07 | — | — | EP | disclosed |
| US-20060178369-A1 | Cinnamic acid amides | INTERMED DISCOVERY GMBH (DE) | 2006-08-10 | — | — | US | disclosed |
| US-20060173040-A1 | Arylamides | BAYER HEALTHCARE AG (DE) | 2006-08-03 | — | — | US | disclosed |
| EP-1529042-A1 | ARYLAMIDES | Bayer HealthCare AG (DE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2005019177-A1 | AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |
| EP-1501795-A1 | CINNAMIC ACID AMIDES | Bayer Aktiengesellschaft (DE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2004113290-A1 | SUBSTITUTED ALKYLAMIDES | BAYER HEALTHCARE AG (DE) | 2004-12-29 | — | — | WO | disclosed |
| WO-2004020432-A1 | ARYLAMIDES | BAYER HEALTHCARE AG (DE) | 2004-03-11 | — | — | WO | disclosed |
| WO-2003091212-A1 | CINNAMIC ACID AMIDES | BAYER HEALTHCARE AG (DE) | 2003-11-06 | — | — | WO | disclosed |
| US-6416735-B1 | RADIOACTIVE COMPOUND WITH HIGH BINDING SPECIFICITY FOR IMAGING AND DETECTING DISEASES SUCH AS ALZHEIMER'S DISEASE | RESEARCH TRIANGLE INSTITUTE | 2002-07-09 | — | — | US | disclosed |
| WO-2001034209-A1 | LIGANDS FOR α7 NICOTINIC ACETYLCHOLINE RECEPTORS BASED ON METHYLLYCACONITINE | RESEARCH TRIANGLE INSTITUTE (US) | 2001-05-17 | — | — | WO | disclosed |