⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4724903 | 0.82 | — | — | |
| SCHEMBL27975909 | 0.78 | — | — | |
| SCHEMBL5248526 | 0.78 | — | — | |
| SCHEMBL9445541 | 0.78 | — | — | |
| SCHEMBL29016998 | 0.78 | CES2 (0.47) | — | |
| SCHEMBL10458715 | 0.76 | ALOX15 (0.46) | — | |
| SCHEMBL11573696 | 0.76 | — | — | |
| SCHEMBL36403 | 0.75 | — | — | |
| SCHEMBL9281243 | 0.75 | ALDH1A1 (0.47) | — | |
| SCHEMBL346429 | 0.75 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117651699-A | Compounds and compositions for the treatment of coronavirus related diseases | 诺华股份有限公司 | 2024-03-05 | — | — | CN | disclosed |
| WO-2024032702-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE, LTD. (KY) | 2024-02-15 | — | — | WO | disclosed |
| WO-2023224963-A1 | DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS | ARIA PHARMACEUTICALS, INC. (US) | 2023-11-23 | — | — | WO | disclosed |
| CN-117024411-A | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-110709392-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-112262139-B | Aminopyrrolotriazines as kinase inhibitors | 百时美施贵宝公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-111566103-B | Aminoimidazopyrazines as kinase inhibitors | 百时美施贵宝公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-110520423-B | Aminotriazolopyridines as kinase inhibitors | 百时美施贵宝公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-110198934-B | Pyrimidine carboxamides as GSK-3 inhibitors | 百时美施贵宝公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-114728959-A | Hydropyrazino [1,2-b ] isoquinoline compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-112969698-A | Chemical compound | 葛兰素史密斯克莱知识产权发展有限公司 | 2021-06-15 | — | — | CN | disclosed |
| CN-112262139-A | Aminopyrrolotriazines as kinase inhibitors | 百时美施贵宝公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-111566103-A | Aminoimidazopyrazines as kinase inhibitors | 百时美施贵宝公司 | 2020-08-21 | — | — | CN | disclosed |
| US-20200261481-A1 | A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG | SHIONOGI & CO., LTD. (JP) | 2020-08-20 | — | — | US | disclosed |
| CN-111171047-A | Fused dihydro-4H-pyrazolo [5,1-C ] [1,4] oxazinyl compounds for the treatment of CNS disorders | 赛诺维信制药公司 | 2020-05-19 | — | — | CN | disclosed |
| CN-107567454-B | Fused dihydro-4H-pyrazolo [5,1-C ] [1,4] oxazinyl compounds and analogs thereof for the treatment of CNS disorders | 赛诺维信制药公司 | 2020-02-18 | — | — | CN | disclosed |
| CN-110709392-A | Isoquinoline as HPK1 inhibitors | 豪夫迈·罗氏有限公司 | 2020-01-17 | — | — | CN | disclosed |
| EP-2010535-A1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | AstraZeneca AB (SE) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007120098-A1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | WO | disclosed |
| WO-2006113458-A1 | HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-10-26 | — | — | WO | disclosed |