⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28684515 | 0.87 | NPC1 (0.37) | — | |
| SCHEMBL6049592 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL6014423 | 0.85 | CYP1A2 (0.42) | — | |
| SCHEMBL1221781 | 0.85 | KCNH2 (0.48) | — | |
| SCHEMBL28018296 | 0.83 | KCNH2 (0.52) | — | |
| SCHEMBL20209685 | 0.83 | KCNH2 (0.52) | — | |
| SCHEMBL21645767 | 0.83 | KCNH2 (0.52) | — | |
| SCHEMBL21186452 | 0.83 | KCNH2 (0.52) | — | |
| SCHEMBL851507 | 0.80 | — | — | |
| Alcohol SCHEMBL22495162 | 0.80 | KCNH2 (0.44) | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160060267-A1 | PYRAZOLO COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2016-03-03 | — | — | US | claimed |
| EP-2970307-A1 | PYRAZOLO COMPOUNDS AND USES THEREOF | Genentech, Inc. (US) | 2016-01-20 | — | — | EP | claimed |
| WO-2015135094-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2015-09-17 | — | — | WO | claimed |
| WO-2014139326-A1 | PYRAZOLO COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2014-09-18 | — | — | WO | claimed |
| CN-114007671-B | Methods and compositions for treating chronic inflammatory lesions, metaplasias, dysplasias, and cancers of epithelial tissue | 休斯敦大学体系 | 2024-06-14 | — | — | CN | disclosed |
| EP-3870578-B1 | THERAPEUTIC COMPOUNDS | C4X DISCOVERY LTD (GB) | 2023-08-16 | — | — | EP | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230192666-A1 | PIPERAZINE INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS | CORCEPT THERAPEUTICS INCORPORATED | 2023-06-22 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| US-20230045960-A1 | SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2023-02-16 | — | — | US | disclosed |
| WO-2022148196-A1 | MULTIKINASE INHIBITOR AND USE THEREOF | 苏州安睿药业有限公司 | 2022-07-14 | — | — | WO | disclosed |
| US-20220202792-A1 | METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES | UNIVERSITY OF HOUSTON SYSTEM (US) | 2022-06-30 | — | — | US | disclosed |
| EP-1989184-A2 | INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)ALKYL SULFOXIMINES | Dow AgroSciences LLC (US) | 2008-11-12 | — | — | EP | disclosed |
| US-20080199459-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-08-21 | — | — | US | disclosed |
| US-20080199459-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-08-21 | — | — | US | disclosed |
| WO-2008057131-A1 | HETEROARYL (SUBSTITUTED) ALKYL N-SUBSTITUTED SULFOXIMINES AS INSECTICIDES | DOW AGROSCIENCES LLC (US) | 2008-05-15 | — | — | WO | disclosed |
| WO-2007095229-A2 | INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)ALKYL SULFOXIMINES | DOW AGROSCIENCES LLC (US) | 2007-08-23 | — | — | WO | disclosed |
| US-6677316-B2 | TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL | SMITHKLINE BEECHAM CORPORATION | 2004-01-13 | — | — | US | disclosed |
| EP-1214317-A1 | ANTIVIRAL AGENTS | BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001019822-A1 | ANTIVIRAL AGENTS | BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) | 2001-03-22 | — | — | WO | disclosed |