⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15286565 | 1.00 | — | — | |
| SCHEMBL196539 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL16053746 | 0.98 | ARG1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL16053462 | 0.98 | ARG1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL16053731 | 0.98 | ARG1 (0.33) | — | |
| SCHEMBL5146389 | 0.87 | ARG1 (0.35) | — | |
| SCHEMBL5662351 | 0.85 | ARG1 (0.34) | — | |
| SCHEMBL18375 | 0.84 | — | — | |
| SCHEMBL16897 | 0.84 | — | — | |
| SCHEMBL18083 | 0.84 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119143781-A | Halothioalkanes Lp-PLA2 inhibitors, preparation method thereof, pharmaceutical compositions and application thereof | 上海深势唯思科技有限责任公司 | 2024-12-17 | — | — | CN | disclosed |
| CN-119119082-A | Cyclopropane Lp-PLA2 inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海深势唯思科技有限责任公司 | 2024-12-13 | — | — | CN | disclosed |
| US-20230357268-A1 | PREPARATION AND APPLICATION OF TRICYCLIC PYRIMIDINONE COMPOUND AND ITS COMPOSITION | NEUSCO BIOTECH LIMITED (CN) | 2023-11-09 | — | — | US | disclosed |
| US-20230357268-A1 | PREPARATION AND APPLICATION OF TRICYCLIC PYRIMIDINONE COMPOUND AND ITS COMPOSITION | NEUSCO BIOTECH LIMITED (CN) | 2023-11-09 | — | — | US | disclosed |
| EP-4180436-A1 | TRICYCLIC PYRIMIDINONE COMPOUND, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF | Neusco Biotech Limited (CN) | 2023-05-17 | — | — | EP | disclosed |
| US-20220388996-A1 | METHODS OF MAKING A MODULATOR OF HEMOGLOBIN | GLOBAL BLOOD THERAPEUTICS, INC. | 2022-12-08 | — | — | US | disclosed |
| EP-2970332-B1 | CHEMICAL ENTITIES | FUNDACIÓN CENTRO NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) | 2018-02-28 | — | — | EP | disclosed |
| EP-2858993-B1 | AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER IP GMBH (DE) | 2018-01-10 | — | — | EP | disclosed |
| US-9777004-B2 | Amino-substituted imidazopyridazines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2017-10-03 | — | — | US | disclosed |
| US-9453031-B2 | Chemical entities | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) | 2016-09-27 | — | — | US | disclosed |
| US-9453031-B2 | Chemical entities | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) | 2016-09-27 | — | — | US | disclosed |
| US-20160052898-A1 | NOVEL COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | US | disclosed |
| US-20160024112-A1 | CHEMICAL ENTITIES | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) | 2016-01-28 | — | — | US | disclosed |
| US-20160024112-A1 | CHEMICAL ENTITIES | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) | 2016-01-28 | — | — | US | disclosed |
| US-20150087631-A1 | AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-03-26 | — | — | US | disclosed |
| WO-2014140644-A1 | CHEMICAL ENTITIES | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) | 2014-09-18 | — | — | WO | disclosed |
| US-20100069346-A1 | New Azetidine Derivatives as Neurokinin Receptor Antagonists for the Treatment of Gastrointestinal Diseases | ALBIREO AB (SE) | 2010-03-18 | — | — | US | disclosed |
| CN-101203511-A | New azetidine derivatives as neurokinin receptor antagonists for the treatment of gastrointestinal diseases | ASTRAZENECA AB (SE) | 2008-06-18 | — | — | CN | disclosed |
| EP-1899326-A1 | NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES | AstraZeneca AB (SE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006137790-A1 | NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES | ASTRAZENECA AB (SE) | 2006-12-28 | — | — | WO | disclosed |