⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL435813 | 1.00 | — | — | |
| SCHEMBL6181576 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27799701 | 0.98 | CHRM2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL27702575 | 0.98 | CHRM2 (0.37) | — | |
| SCHEMBL1489698 | 0.88 | SLC6A1 (0.44) | — | |
| SCHEMBL21003949 | 0.88 | SLC6A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL20576082 | 0.88 | SLC6A1 (0.33) | — | |
| SCHEMBL5640241 | 0.86 | CHRM2 (0.40) | — | |
| SCHEMBL1490076 | 0.86 | GABRA1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL27675051 | 0.86 | SLC6A1 (0.42) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250101028-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE, LTD. (KY) | 2025-03-27 | — | — | US | disclosed |
| EP-4499639-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BeiGene, Ltd. (KY) | 2025-02-05 | — | — | EP | disclosed |
| WO-2023179703-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE , LTD. (KY) | 2023-09-28 | — | — | WO | disclosed |
| WO-2020123277-A1 | PROTEIN KINASE INHIBITOR PRODRUGS | Princeton Drug Discovery Inc. (US) | 2020-06-18 | — | — | WO | disclosed |
| US-9580416-B2 | Inhibitors of Bruton's tyrosine kinase | PHARMACYCLICS LLC (US) | 2017-02-28 | — | — | US | disclosed |
| US-9580416-B2 | Inhibitors of Bruton's tyrosine kinase | PHARMACYCLICS LLC (US) | 2017-02-28 | — | — | US | disclosed |
| WO-2016004272-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC (US) | 2016-01-07 | — | — | WO | disclosed |
| US-20160002225-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | SCHRODINGER, LLC | 2016-01-07 | — | — | US | disclosed |
| US-20160002225-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | SCHRODINGER, LLC | 2016-01-07 | — | — | US | disclosed |
| EP-1562925-A1 | PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004043940-A1 | PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-05-27 | — | — | WO | disclosed |
| EP-0381984-B1 | 3- or 4-substituted oxotremorine derivatives | AMERICAN CYANAMID CO (US) | 1995-04-19 | — | — | EP | disclosed |
| US-5089518-A | 3- or 4-substituted oxotremorine derivatives and a method of treating cholinergic dysfunction therewith | AMERICAN CYANAMID COMPANY (US) | 1992-02-18 | — | — | US | disclosed |
| US-4952600-A | TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM | AMERICAN CYANAMID COMPANY (US) | 1990-08-28 | — | — | US | disclosed |
| EP-0381984-A1 | 3- or 4-substituted oxotremorine derivatives | AMERICAN CYANAMID COMPANY (US) | 1990-08-16 | — | — | EP | disclosed |
| US-4937235-A | Anticholinergic agents | AMERICAN CYANAMID COMPANY (US) | 1990-06-26 | — | — | US | disclosed |