⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1246040 | 0.63 | — | — | |
| SCHEMBL313889 | 0.61 | — | — | |
| SCHEMBL158318 | 0.57 | — | — | |
| SCHEMBL1520907 | 0.57 | — | — | |
| SCHEMBL958555 | 0.56 | — | — | |
| SCHEMBL707812 | 0.55 | — | — | |
| SCHEMBL19743847 | 0.55 | — | — | |
| SCHEMBL3068640 | 0.55 | — | — | |
| SCHEMBL701713 | 0.53 | — | — | |
| Hydrogen Peroxide SCHEMBL28986039 | 0.51 | — | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080312301-A1 | Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof | GRUENENTHAL GMBH (DE) | 2008-12-18 | — | — | US | claimed |
| EP-1893589-A1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-03-05 | — | — | EP | claimed |
| WO-2006131296-A1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-14 | — | — | WO | claimed |
| US-6335327-B1 | Benzoheterocyclic derivatives | OTSUKA PHARMACEUTICALS CO., LTD. (JP) | 2002-01-01 | — | — | US | claimed |
| US-6207678-B1 | USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS | PFIZER INC | 2001-03-27 | — | — | US | claimed |
| WO-2024054811-A1 | COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS | BIOHAVEN THERAPEUTICS LTD. (VG) | 2024-03-14 | — | — | WO | disclosed |
| WO-2023178199-A2 | TARGETED BIFUNCTIONAL DEGRADERS | YALE UNIVERSITY (US) | 2023-09-21 | — | — | WO | disclosed |
| EP-4216949-A1 | SELECTIVE AGONISTS OF 5-HT2A RECEPTOR AND METHODS OF USE | Yale University (US) | 2023-08-02 | — | — | EP | disclosed |
| WO-2023141648-A1 | 2-FLUOROETHYL PROCARBAZINE COMPOUNDS | YALE UNIVERSITY (US) | 2023-07-27 | — | — | WO | disclosed |
| US-20220194908-A1 | SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | RECEPTOS LLC | 2022-06-23 | — | — | US | disclosed |
| US-20220194971-A1 | SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | RECEPTOS LLC | 2022-06-23 | — | — | US | disclosed |
| US-20220144788-A1 | SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | RECEPTOS LLC | 2022-05-12 | — | — | US | disclosed |
| US-20080312301-A1 | Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof | GRUENENTHAL GMBH (DE) | 2008-12-18 | — | — | US | disclosed |
| EP-1893589-A1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-03-05 | — | — | EP | disclosed |
| US-20080021069-A1 | Receptor Function Regulating Agent | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-01-24 | — | — | US | disclosed |
| EP-1810677-A1 | RECEPTOR FUNCTION REGULATING AGENT | Takeda Pharmaceutical Company Limited (JP) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006131296-A1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-14 | — | — | WO | disclosed |
| EP-1496877-A2 | METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES | NOVO NORDISK A/S (DK) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003057200-A2 | COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES | NOVO NORDISK A/S (DK) | 2003-07-17 | — | — | WO | disclosed |
| WO-2001079261-A1 | TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |