⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6359403 | 1.00 | — | — | |
| SCHEMBL28995878 | 0.97 | — | — | |
| SCHEMBL28995928 | 0.94 | — | — | |
| Benzene SCHEMBL28291882 | 0.92 | ALDH1A1 (0.43) | — | |
| SCHEMBL4109881 | 0.88 | — | — | |
| SCHEMBL4543079 | 0.88 | ALDH1A1 (0.45) | — | |
| SCHEMBL4109879 | 0.88 | — | — | |
| SCHEMBL4543076 | 0.88 | ALDH1A1 (0.45) | — | |
| SCHEMBL14071708 | 0.88 | — | — | |
| SCHEMBL30613496 | 0.80 | ALOX15 (0.36) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113979916-B | Synthetic method of polyhalogenated aza spiro hexadienone compound | 中南林业科技大学 | 2023-12-01 | — | — | CN | claimed |
| JP-9241212-A | — | — | None | — | — | JP | disclosed |
| CN-118724642-A | Humic acid-containing water-soluble fertilizer and preparation method thereof | 山西艾施丹生物科技有限公司 | 2024-10-01 | — | — | CN | disclosed |
| CN-117658972-A | Cyclohexadienone spirochroman skeleton and preparation method thereof | 青岛农业大学 | 2024-03-08 | — | — | CN | disclosed |
| CN-117546087-A | Removal of carbon from seawater and other liquids using photoactive compounds | 华盛顿大学 | 2024-02-09 | — | — | CN | disclosed |
| CN-113979916-B | Synthetic method of polyhalogenated aza spiro hexadienone compound | 中南林业科技大学 | 2023-12-01 | — | — | CN | disclosed |
| CN-116438232-A | eTPE laser marking | 巴斯夫欧洲公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-113979916-A | Synthesis method of polyhalogenated aza spiro hexadienone compound | 中南林业科技大学 | 2022-01-28 | — | — | CN | disclosed |
| WO-2021074275-A1 | EFFECTIVE PHOTOMODULATION OF LANTHANIDE (III) ION LUMINESCENCE IN THE VISIBLE OR NEAR-INFRARED RANGE | UNIVERSITE DE RENNES 1 (FR) | 2021-04-22 | — | — | WO | disclosed |
| CN-108117507-B | Synthesis method and application of azaspiro cyclohexadienone | 吉首大学 | 2020-10-09 | — | — | CN | disclosed |
| WO-2010106347-A2 | BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES | UNIVERSITY OF NOTTINGHAM (GB) | 2010-09-23 | — | — | WO | disclosed |
| US-20090269541-A1 | OPTICAL RECORDING MATERIAL, CHALCONE TYPE COMPOUNDS AND METAL COMPLEXES | ADEKA CORPORATION (JP) | 2009-10-29 | — | — | US | disclosed |
| US-6881915-B2 | Contrast enhancing marking system for application of unobtrusive identification and other markings | SPECTRA SYSTEMS CORPORATION (US) | 2005-04-19 | — | — | US | disclosed |
| JP-H09241212-A | CYCLOPENTENONE DERIVATIVE AND ITS PRODUCTION | NOGUCHI KENKYUSHO | 1997-09-16 | — | — | JP | disclosed |
| EP-0139615-B1 | FLAVENE AND THIOFLAVENE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SUCH COMPOUNDS, AND THE USE OF THE LATTER | Zyma SA (CH) | 1989-04-19 | — | — | EP | disclosed |
| EP-0158709-B1 | A PROCESS FOR PRODUCING A PARA-SUBSTITUTED PHENOL DERIVATIVE | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1987-07-29 | — | — | EP | disclosed |
| US-4642393-A | Process for preparing 1,4-dihydroxy, 5,8-dihydronaphthalene and related compounds | KOPPERS COMPANY, INC. (US) | 1987-02-10 | — | — | US | disclosed |
| US-4348320-A | PENICILLIN INTERMEDIATES | MERCK & CO., INC. (US) | 1982-09-07 | — | — | US | disclosed |
| US-4341860-A | A P-DI-OR TRICHLOROCYCLOHEXADIENONE OXIDIZER AND A LEUCO DYE OR UNSATURATED MONOMER; PHOTORESISTS; PHOTOPRINTOUT ELEMENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-07-27 | — | — | US | disclosed |
| US-3950236-A | OXIDATION, ALKYL-ALKOXY-BIBENZYL COMPOUNDS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH, EDUCATION AND WELFARE (US) | 1976-04-13 | — | — | US | disclosed |