⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3161530 | 1.00 | — | — | |
| SCHEMBL41930 | 1.00 | — | — | |
| SCHEMBL4362830 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL27559035 | 0.96 | — | — | |
| Methane SCHEMBL28265285 | 0.96 | — | — | |
| SCHEMBL31160349 | 0.96 | — | — | |
| Ethylene SCHEMBL1124087 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL2783611 | 0.96 | — | — | |
| SCHEMBL29094233 | 0.96 | — | — | |
| Butadiene SCHEMBL2023603 | 0.92 | — | — |
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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200255872-A1 | Isothiocyanate containing Brassicaceae Products and Method of Preparation Thereof | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2020-08-13 | — | — | US | claimed |
| EP-3688179-A1 | ISOTHIOCYANATE CONTAINING BRASSICACEAE | Commonwealth Scientific and Industrial Research Organisation (AU) | 2020-08-05 | — | — | EP | claimed |
| WO-2019060963-A1 | ISOTHIOCYANATE CONTAINING BRASSICACEAE PRODUCTS AND METHOD OF PREPARATION THEREOF | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2019-04-04 | — | — | WO | claimed |
| CN-104177323-A | Synthesis method of single enantiomer (+/-)-3-methyl-7,8-dihydroxy-isochroman-4-one | UNIV CHINA PHARMA | 2014-12-03 | — | — | CN | claimed |
| US-20250296933-A1 | METHODS AND INTERMEDIATES FOR PREPARING THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2025-09-25 | — | — | US | disclosed |
| US-20250188089-A1 | SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF | GILEAD SCIENCES, INC. | 2025-06-12 | — | — | US | disclosed |
| US-12187734-B2 | Substituted pyridotriazine compounds and uses thereof | GILEAD SCIENCES, INC. (US) | 2025-01-07 | — | — | US | disclosed |
| EP-4196479-B9 | SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF | GILEAD SCIENCES INC (US) | 2024-10-16 | — | — | EP | disclosed |
| US-20240300966-A1 | SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF | GILEAD SCIENCES, INC. | 2024-09-12 | — | — | US | disclosed |
| US-20240115626-A1 | COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES | CHURCH & DWIGHT CO., INC. (US) | 2024-04-11 | — | — | US | disclosed |
| EP-4321217-A2 | SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF | Gilead Sciences, Inc. (US) | 2024-02-14 | — | — | EP | disclosed |
| US-11897892-B2 | Substituted pyridotriazine compounds and uses thereof | GILEAD SCIENCES, INC. (US) | 2024-02-13 | — | — | US | disclosed |
| EP-0554400-A1 | RETROVIRAL PROTEASE INHIBITORS. | MONSANTO CO (US) | 1993-08-11 | — | — | EP | disclosed |
| US-5126482-A | Process for producing fluorine-containing carboxylic acids | NIPPON MINING CO., LTD. (JP) | 1992-06-30 | — | — | US | disclosed |
| WO-1992008701-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |
| WO-1992008700-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |
| WO-1992008698-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |
| WO-1992008699-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |
| WO-1992008688-A1 | RETROVIRAL PROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |
| EP-0350334-A2 | A process for producing fluorine-containing compounds | NIKKO KYODO CO., LTD. (JP) | 1990-01-10 | — | — | EP | disclosed |