⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL91342 | 1.00 | — | — | |
| SCHEMBL30925652 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL18047418 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL18047416 | 0.98 | — | — | |
| Trifluoroacetic Acid SCHEMBL29728619 | 0.86 | GABRR1 (0.43) | — | |
| SCHEMBL27439377 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL31127727 | 0.79 | HCAR2 (0.50) | — | |
| SCHEMBL3144798 | 0.77 | — | — | |
| SCHEMBL690353 | 0.77 | — | — | |
| SCHEMBL10054177 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0326389-B1 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES (JP) | 1996-09-11 | — | — | EP | claimed |
| US-4935516-A | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES, LTD. (JP) | 1990-06-19 | — | — | US | claimed |
| EP-0326389-A2 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES, LTD. (JP) | 1989-08-02 | — | — | EP | claimed |
| US-20230240947-A1 | DENTAL ADHESIVE COMPOSITION AND DENTAL MATERIAL | MITSUI CHEMICAIS, INC. (JP) | 2023-08-03 | — | — | US | disclosed |
| CN-107365418-B | Polyallylamine derivatives | 味之素株式会社 | 2022-04-01 | — | — | CN | disclosed |
| US-10273208-B2 | Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods | NORTHWESTERN UNIVERSITY (US) | 2019-04-30 | — | — | US | disclosed |
| CN-106831787-B | Compound and its preparation method and application as bruton's tyrosine kinase inhibitor | 成都倍特药业有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-106831787-A | Compound as bruton's tyrosine kinase inhibitor and its preparation method and application | 成都倍特药业有限公司 | 2017-06-13 | — | — | CN | disclosed |
| US-20170152228-A1 | SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS | NORTHWESTERN UNIVERSITY (US) | 2017-06-01 | — | — | US | disclosed |
| US-9586890-B2 | Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods | NORTHWESTERN UNIVERSITY (US) | 2017-03-07 | — | — | US | disclosed |
| US-20160016893-A1 | SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS | NORTHWESTERN UNIVERSITY (US) | 2016-01-21 | — | — | US | disclosed |
| EP-0326389-B1 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES (JP) | 1996-09-11 | — | — | EP | disclosed |
| US-5430059-A | Treating heart disease | EISAI CO., LTD. (JP) | 1995-07-04 | — | — | US | disclosed |
| EP-0633248-A1 | Butenoic acid derivatives | Eisai Co., Ltd. (JP) | 1995-01-11 | — | — | EP | disclosed |
| EP-0589491-A1 | Butenoic acid derivatives | Eisai Co., Ltd. (JP) | 1994-03-30 | — | — | EP | disclosed |
| US-5292770-A | Butenoic acid derivatives | EISAI CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| US-5166188-A | Cardiovascular disorders, antiischemic agents | EISAI CO., LTD. (JP) | 1992-11-24 | — | — | US | disclosed |
| EP-0399358-A2 | Butenoic acid derivatives | Eisai Co., Ltd. (JP) | 1990-11-28 | — | — | EP | disclosed |
| US-4935516-A | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES, LTD. (JP) | 1990-06-19 | — | — | US | disclosed |
| EP-0326389-A2 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES, LTD. (JP) | 1989-08-02 | — | — | EP | disclosed |