⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19045198 | 1.00 | — | — | |
| SCHEMBL19045193 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL321214 | 0.97 | CXCR4 (0.32) | — | |
| SCHEMBL18084750 | 0.95 | CXCR4 (0.37) | — | |
| SCHEMBL18065628 | 0.92 | ALDH1A1 (0.38) | — | |
| SCHEMBL86857 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL76948 | 0.86 | — | — | |
| SCHEMBL1427324 | 0.79 | — | — | |
| SCHEMBL1428054 | 0.79 | — | — | |
| SCHEMBL1428041 | 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117881397-A | Heterocyclic compounds and methods of use | 安进公司 | 2024-04-12 | — | — | CN | claimed |
| CN-118221700-A | Condensed ring aromatic compound, preparation method and application thereof | 北京华森英诺生物科技有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-117881397-A | Heterocyclic compounds and methods of use | 安进公司 | 2024-04-12 | — | — | CN | disclosed |
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| US-10392349-B2 | Azepane derivatives and methods of treating hepatitis B infections | NOVIRA THERAPEUTICS, INC. (US) | 2019-08-27 | — | — | US | disclosed |
| US-10183025-B2 | Autotaxin inhibitors | NOVARTIS AG (CH) | 2019-01-22 | — | — | US | disclosed |
| US-20190016682-A1 | AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | NOVIRA THERAPEUTICS, INC. | 2019-01-17 | — | — | US | disclosed |
| US-9873671-B2 | Azepane derivatives and methods of treating hepatitis B infections | NOVIRA THERAPEUTICS, INC. (US) | 2018-01-23 | — | — | US | disclosed |
| US-9873671-B2 | Azepane derivatives and methods of treating hepatitis B infections | NOVIRA THERAPEUTICS, INC. (US) | 2018-01-23 | — | — | US | disclosed |
| WO-2010138589-A1 | BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE | GENENTECH, INC. (US) | 2010-12-02 | — | — | WO | disclosed |
| US-20100305096-A1 | BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE | GENENTECH, INC. | 2010-12-02 | — | — | US | disclosed |
| WO-2010049731-A1 | PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2010-05-06 | — | — | WO | disclosed |
| EP-1796793-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-08-05 | — | — | EP | disclosed |
| EP-1250337-B1 | SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS | JANSSEN PHARMACEUTICA NV (BE) | 2008-12-03 | — | — | EP | disclosed |
| US-20070293477-A1 | Novel Compounds | SMITHKLINE BEECHAM CORPORATION | 2007-12-20 | — | — | US | disclosed |
| US-20070293477-A1 | Novel Compounds | SMITHKLINE BEECHAM CORPORATION | 2007-12-20 | — | — | US | disclosed |
| US-20070293477-A1 | Novel Compounds | SMITHKLINE BEECHAM CORPORATION | 2007-12-20 | — | — | US | disclosed |
| EP-1796793-A2 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006029154-A2 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-16 | — | — | WO | disclosed |