⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL962079 | 1.00 | — | — | |
| SCHEMBL962080 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL384029 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL314718 | 0.97 | — | — | |
| Iodide SCHEMBL3088722 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL382834 | 0.97 | — | — | |
| SCHEMBL11827188 | 0.81 | — | — | |
| SCHEMBL14275846 | 0.79 | — | — | |
| SCHEMBL7203154 | 0.79 | — | — | |
| SCHEMBL384354 | 0.79 | — | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210171524-A1 | PURINE COMPOUNDS AND METHOD FOR THE TREATMENT OF CANCER | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2021-06-10 | — | — | US | disclosed |
| US-10800753-B2 | Tetrahydrothiophene-based GABA aminotransferase inactivators and analogs thereof for treating neurological disorders | NORTHWESTERN UNIVERSITY (US) | 2020-10-13 | — | — | US | disclosed |
| US-10711002-B2 | Purine compounds and method for the treatment of cancer | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2020-07-14 | — | — | US | disclosed |
| US-20190330239-A1 | INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 | MERCK SHARP & DOHME CORP. (US) | 2019-10-31 | — | — | US | disclosed |
| US-20190256489-A1 | Tetrahydrothiophene-based GABA Aminotransferase Inactivators and Analogs Thereof for Treating Neurological Disorders | NORTHWESTERN UNIVERSITY (US) | 2019-08-22 | — | — | US | disclosed |
| US-20190119279-A1 | PURINE COMPOUNDS AND METHOD FOR THE TREATMENT OF CANCER | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2019-04-25 | — | — | US | disclosed |
| US-10189807-B2 | Tetrahydrothiophene-based GABA aminotransferase inactivators | NORTHWESTERN UNIVERSITY (US) | 2019-01-29 | — | — | US | disclosed |
| EP-3286183-A1 | ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES | Cellcentric Ltd (GB) | 2018-02-28 | — | — | EP | disclosed |
| US-20180051001-A1 | Tetrahydrothiophene-based GABA Aminotransferase Inactivators | NORTHWESTERN UNIVERSITY (US) | 2018-02-22 | — | — | US | disclosed |
| WO-2017181285-A1 | PURINE COMPOUNDS AND METHOD FOR THE TREATMENT OF CANCER | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2017-10-26 | — | — | WO | disclosed |
| US-7446114-B2 | Quinolinone compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2008-11-04 | — | — | US | disclosed |
| US-20080090811-A1 | Carbamate compounds as 5-HT4 receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-04-17 | — | — | US | disclosed |
| EP-1902053-A2 | BENZOIMIDAZOLONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | Theravance, Inc. (US) | 2008-03-26 | — | — | EP | disclosed |
| US-20080070923-A1 | Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-03-20 | — | — | US | disclosed |
| US-7329752-B2 | Carbamate compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2008-02-12 | — | — | US | disclosed |
| US-7317022-B2 | Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists | THERAVANCE, INC. (US) | 2008-01-08 | — | — | US | disclosed |
| US-20070117796-A1 | Carbamate compounds as 5-HT4 receptor agonists | THERAVANCE, INC. | 2007-05-24 | — | — | US | disclosed |
| WO-2006133104-A2 | BENZOIMIDAZOLONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2006-12-14 | — | — | WO | disclosed |
| US-20060276482-A1 | Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists | THERAVANCE, INC. | 2006-12-07 | — | — | US | disclosed |
| US-20060199839-A1 | Quinolinone compounds as 5-HT4 receptor agonists | THERAVANCE, INC. | 2006-09-07 | — | — | US | disclosed |