⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24478321 | 1.00 | — | — | |
| SCHEMBL2450833 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL21774704 | 0.98 | SLC6A1 (0.96) | — | |
| Hydrochloric Acid SCHEMBL21774701 | 0.98 | SLC6A1 (0.96) | — | |
| Hydrochloric Acid SCHEMBL22655757 | 0.98 | SLC6A1 (0.96) | — | |
| Acetic Acid SCHEMBL8859076 | 0.94 | SLC6A1 (0.88) | — | |
| Trifluoroacetic Acid SCHEMBL28718426 | 0.89 | SLC6A1 (0.79) | — | |
| SCHEMBL1225755 | 0.87 | SLC6A1 (0.77) | — | |
| SCHEMBL18828784 | 0.87 | SLC6A1 (0.77) | — | |
| SCHEMBL18828823 | 0.87 | SLC6A1 (0.77) | — |
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 224 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118724097-A | Comprehensive treatment agent for recycling fracturing flowback fluid | 天津正达科技有限责任公司 | 2024-10-01 | — | — | CN | claimed |
| CN-114507227-B | Benzisothiazole compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-06-21 | — | — | CN | claimed |
| CN-115504973-B | Benzisoxazole compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-05-14 | — | — | CN | claimed |
| EP-4236937-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2023-09-06 | — | — | EP | claimed |
| EP-4236942-A1 | ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2023-09-06 | — | — | EP | claimed |
| CN-115504973-A | Benzisoxazole compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-12-23 | — | — | CN | claimed |
| CN-114591318-A | Pyrazolo heterocyclic compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-06-07 | — | — | CN | claimed |
| WO-2022105782-A1 | BENZISOTHIAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国医学科学院药物研究所 | 2022-05-27 | — | — | WO | claimed |
| CN-114507227-A | Benzisothiazole compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | claimed |
| CN-114507243-A | Isothiazole heterocyclic compound, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | claimed |
| WO-2022093849-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2022-05-05 | — | — | WO | claimed |
| WO-2022093850-A1 | ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2022-05-05 | — | — | WO | claimed |
| CN-113024367-A | Method for preparing alpha-hexyl cinnamaldehyde | 万华化学集团股份有限公司 | 2021-06-25 | — | — | CN | claimed |
| CN-1090629-C | Novel Heterocyclic compounds | NOVO NORDISK AS (DK) | 2002-09-11 | — | — | CN | claimed |
| CN-1196729-A | Novel heterocyclic compounds | NOVO NORDISK AS (DK) | 1998-10-21 | — | — | CN | claimed |
| US-5053521-A | 3-amino butyric acid uptake inhibitors, antiepileptic agents | WARNER-LAMBERT COMPANY (US) | 1991-10-01 | — | — | US | claimed |
| EP-0346927-A2 | Various N-substituted 3-piperidine carboxylic acids or N-substituted 3-pyridine-carboxylic acids and derivatives thereof | WARNER-LAMBERT COMPANY (US) | 1989-12-20 | — | — | EP | claimed |
| EP-4712961-A2 | KRAS G12S AND G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2026-03-25 | — | — | EP | disclosed |
| EP-0342635-A1 | Azacyclic carboxylic acid derivatives, their preparation and use | NOVO NORDISK A/S (DK) | 1989-11-23 | — | — | EP | disclosed |
| US-4402961-A | Derivatives of 1-(2-,3- or 4-quinolyl)-2- or -3-(2- or 3-piperidyl or -pyrrolidinyl) ethanone or propanone, and their utilization as antiarrhythmics, anticonvulsivants and for the treatment of anxiety | PHARMINDUSTRIE (FR) | 1983-09-06 | — | — | US | disclosed |