⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30201156 | 1.00 | — | — | |
| Water SCHEMBL27994831 | 1.00 | TSHR (0.50) | — | |
| SCHEMBL2351623 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL17818517 | 0.89 | TSHR (0.50) | — | |
| Nitrous Acid SCHEMBL28128691 | 0.87 | TSHR (0.40) | — | |
| SCHEMBL17712501 | 0.80 | ESR2 (0.48) | — | |
| SCHEMBL29543686 | 0.80 | ESR2 (0.48) | — | |
| SCHEMBL3386194 | 0.79 | DYRK1A (0.47) | — | |
| SCHEMBL31032883 | 0.79 | DYRK1A (0.47) | — | |
| Water SCHEMBL19410621 | 0.78 | TSHR (0.63) | — |
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
Appears in 2558 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120004697-A | Preparation method of OrgVO material and application of OrgVO material as secondary battery anode material | 同济大学 | 2025-05-16 | — | — | CN | claimed |
| EP-3650120-B1 | FLUIDIZED-BED CATALYST APPLICABLE TO HALOARYLNITRILE PRODUCTION, AND PREPARATION AND APPLICATION THEREOF | CHINA PETROLEUM & CHEM CORP (CN) | 2024-09-18 | — | — | EP | claimed |
| EP-4255947-B1 | METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS | COVESTRO DEUTSCHLAND AG (DE) | 2024-07-03 | — | — | EP | claimed |
| WO-2024109438-A1 | PREPARATION PROCESS OF HIGH-PURITY LOW-IMPURITY 10-METHOXYIMINOSTILBENE | 浙江华洋药业有限公司 | 2024-05-30 | — | — | WO | claimed |
| US-20240026065-A1 | METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS | COVESTRO DEUTSCHLAND AG (DE) | 2024-01-25 | — | — | US | claimed |
| CN-117402116-A | Process for the preparation of dibenzoazepine compounds and their use as interferon activator protein agonists | 河北中科金辉药业有限公司 | 2024-01-16 | — | — | CN | claimed |
| CN-117105819-A | Preparation method of intermediate of irbesartan isomer | 浙江金立源药业有限公司 | 2023-11-24 | — | — | CN | claimed |
| EP-4255947-A1 | METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS | Covestro Deutschland AG (DE) | 2023-10-11 | — | — | EP | claimed |
| CN-113582908-B | Near-ultraviolet organic electroluminescent material based on phenylcyano, preparation method thereof and application thereof in OLED preparation | 华南理工大学 | 2023-09-26 | — | — | CN | claimed |
| CN-116529281-A | Process for producing thermoplastic polyoxazolidone polymers | 科思创德国股份有限公司 | 2023-08-01 | — | — | CN | claimed |
| US-6392080-B1 | FROM O-HALOBENZONITRILE WITH TOLYLMAGNESIUM HALIDE | SANOFI-STNTH{DOT OVER (E)}LABO (FR) | 2002-05-21 | — | — | US | claimed |
| EP-0931059-B1 | METHOD FOR PREPARING A CYANOBIPHENYL | SANOFI SYNTHELABO (FR) | 2001-12-12 | — | — | EP | claimed |
| US-6121480-A | LOW SPEED PALLADIUM-CATALYZED COUPLING OF ARYL GRIGNARD REAGENT WITH BROMOBENZONITRILE | GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) | 2000-09-19 | — | — | US | claimed |
| EP-0931059-A1 | METHOD FOR PREPARING A CYANOBIPHENYL | SANOFI (FR) | 1999-07-28 | — | — | EP | claimed |
| EP-0883603-A1 | METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS | Great Lakes Chemical Konstanz GmbH (DE) | 1998-12-16 | — | — | EP | claimed |
| WO-1998009941-A1 | METHOD FOR PREPARING A CYANOBIPHENYL | SANOFI (FR) | 1998-03-12 | — | — | WO | claimed |
| WO-1997030970-A1 | METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS | GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) | 1997-08-28 | — | — | WO | claimed |
| US-5159082-A | Catalytic coupling of an aromatic sulfinic acid with an aromatic halogen compound | MITSUBISHI KASEI CORPORATION (JP) | 1992-10-27 | — | — | US | claimed |
| EP-0405389-A1 | Process for producing an aromatic compound | Mitsubishi Chemical Corporation (JP) | 1991-01-02 | — | — | EP | claimed |
| US-4201632-A | Separation of phenol-, cyclohexanone-, and cyclohexylbenzene-containing mixtures employing a nitrile as extraction distillation solvent | PHILLIPS PETROLEUM COMPANY (US) | 1980-05-06 | — | — | US | claimed |