⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6473638 | 0.98 | — | — | |
| Water SCHEMBL27334970 | 0.98 | — | — | |
| SCHEMBL27835831 | 0.98 | — | — | |
| Formic Acid SCHEMBL28287257 | 0.91 | CHRNA4 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL5239678 | 0.89 | CHRNA4 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL4752538 | 0.89 | CHRNA4 (0.41) | — | |
| SCHEMBL27463002 | 0.84 | PTPN1 (0.48) | — | |
| SCHEMBL27520450 | 0.82 | KMT2A (0.47) | — | |
| SCHEMBL27463003 | 0.82 | KDM4C (0.39) | — | |
| SCHEMBL3618206 | 0.80 | — | — |
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 1685 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12492193-B2 | Pyrazole derivatives for the treatment of cystic fibrosis | FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) | 2025-12-09 | — | — | US | claimed |
| CN-110167944-B | Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors | 联合疗法公司 | 2024-08-23 | — | — | CN | claimed |
| EP-3551632-B1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | UNION THERAPEUTICS AS (DK) | 2024-06-12 | — | — | EP | claimed |
| CN-117050300-A | Polylysine-based polymer adjuvant material, and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2023-11-14 | — | — | CN | claimed |
| US-20230212157-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS | ISTITUTO GIANNINA GASLINI (IT) | 2023-07-06 | — | — | US | claimed |
| CN-116053579-A | Low-temperature organic electrolyte taking isoxazole derivative as basic solvent and application thereof | 山东阳谷华泰化工股份有限公司 | 2023-05-02 | — | — | CN | claimed |
| US-11597723-B2 | Pyrazole derivatives for the treatment of cystic fibrosis | FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) | 2023-03-07 | — | — | US | claimed |
| CN-113880762-B | Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof | 河北农业大学 | 2023-02-21 | — | — | CN | claimed |
| CN-113880762-A | 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof | 河北农业大学 | 2022-01-04 | — | — | CN | claimed |
| CN-113603886-A | Polyethyleneimine derivative and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2021-11-05 | — | — | CN | claimed |
| WO-1999014216-A1 | SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1999-03-25 | — | — | WO | claimed |
| WO-1999005319-A2 | METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY | RAPIGENE, INC. (US) | 1999-02-04 | — | — | WO | claimed |
| EP-0868535-A2 | METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES | Rapigene, Inc. (US) | 1998-10-07 | — | — | EP | claimed |
| EP-0850320-A2 | METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL | DARWIN MOLECULAR CORPORATION (US) | 1998-07-01 | — | — | EP | claimed |
| WO-1997027331-A9 | METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES | — | 1997-10-09 | — | — | WO | claimed |
| WO-1997027331-A2 | METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES | RAPIGENE, INC. (US) | 1997-07-31 | — | — | WO | claimed |
| WO-1997027327-A2 | METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL | RAPIGENE, INC. (US) | 1997-07-31 | — | — | WO | claimed |
| US-4692447-A | HYPOTENSIVE, VASODILATOR, ANTITHROMBOTIC, ANTIAGGREGANT, CYTOPROTECTIVE | BOEHRINGER BIOCHEMIA ROBIN, S.P.A. (IT) | 1987-09-08 | — | — | US | claimed |
| EP-0091022-B1 | 5-TRICHLOROMETHYL ISOXAZOLE, PROCESS FOR ITS PREPARATION AND ITS USE | BASF Aktiengesellschaft (DE) | 1985-11-21 | — | — | EP | claimed |
| EP-0091022-A1 | 5-Trichloromethyl isoxazole, process for its preparation and its use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | claimed |