⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37046 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL37045 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL38662795 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL247694 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL9823358 | 0.81 | ALDH1A1 (0.62) | — | |
| SCHEMBL7262 | 0.81 | ALDH1A1 (0.62) | — | |
| SCHEMBL1331989 | 0.81 | ALDH1A1 (0.62) | — | |
| Water SCHEMBL1097795 | 0.79 | ALDH1A1 (0.53) | — | |
| SCHEMBL377484 | 0.78 | — | — | |
| SCHEMBL7661231 | 0.78 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101570539-A | Morphinone quaternary ammonium salt derivatives and preparation method thereof | YOUMAO QI (CN) | 2009-11-04 | — | — | CN | claimed |
| EP-4457224-A1 | HETEROCYCLIC COMPOUNDS | BeiGene Switzerland GmbH (CH) | 2024-11-06 | — | — | EP | disclosed |
| US-20240327417-A1 | HETEROCYCLIC COMPOUNDS | BEIGENE SWITZERLAND GMBH (CH) | 2024-10-03 | — | — | US | disclosed |
| CN-118451073-A | Heterocyclic compounds | 百济神州有限公司 | 2024-08-06 | — | — | CN | disclosed |
| WO-2023125681-A1 | HETEROCYCLIC COMPOUNDS | BEIGENE, LTD. (KY) | 2023-07-06 | — | — | WO | disclosed |
| EP-3030234-B1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-09-19 | — | — | EP | disclosed |
| US-9695163-B2 | Thiazole orexin receptor antagonists | MERCK SHARP & DOHME CORP (US) | 2017-07-04 | — | — | US | disclosed |
| US-20160185768-A1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-30 | — | — | US | disclosed |
| EP-3030234-A1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-06-15 | — | — | EP | disclosed |
| WO-2015020933-A1 | THIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-02-12 | — | — | WO | disclosed |
| US-20120214840-A1 | INDOLIZINE INHIBITORS OF 5-LIPOXYGENASE | PANMIRA PHARMACEUTICALS, LLC (US) | 2012-08-23 | — | — | US | disclosed |
| CN-101570539-B | Morphinone quaternary ammonium salt derivatives and preparation method thereof | YOUMAO QI | 2012-01-11 | — | — | CN | disclosed |
| CN-101570539-A | Morphinone quaternary ammonium salt derivatives and preparation method thereof | YOUMAO QI (CN) | 2009-11-04 | — | — | CN | disclosed |
| US-5744278-A | TONER COMPRISING COLORANT AND BINDER RESIN HAVING SPECIFIED PARTICLE SIZE AND GLASS TRANSITION TEMPERATURE, CAPSULE STRUCTURE | CANON KABUSHIKI KAISHA (JP) | 1998-04-28 | — | — | US | disclosed |
| EP-0303280-B1 | PHENOLIC ANTIOXIDANT HYDRAZIDES | ATOCHEM NORTH AMERICA, INC. (US) | 1993-03-24 | — | — | EP | disclosed |
| EP-0303280-A2 | Phenolic antioxidant hydrazides | ATOCHEM NORTH AMERICA, INC. (US) | 1989-02-15 | — | — | EP | disclosed |
| US-4801749-A | Phenolic antioxidant hydrazides | PENNWALT CORPORATION (US) | 1989-01-31 | — | — | US | disclosed |
| US-4183955-A | Troponyl-oxamic acid derivatives for treating allergic conditions | Ayerst. McKenna & Harrison Limited (CA) | 1980-01-15 | — | — | US | disclosed |
| US-4125625-A | ANTIALLERGENS | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-11-14 | — | — | US | disclosed |
| US-4057556-A | ANTIALLERGENS | AYERST, MCKENNA & HARRISON LTD. (CA) | 1977-11-08 | — | — | US | disclosed |