⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12916367 | 0.80 | — | — | |
| SCHEMBL3187408 | 0.79 | — | — | |
| SCHEMBL14516430 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8984856 | 0.78 | AOC3 (0.38) | — | |
| SCHEMBL792423 | 0.77 | — | — | |
| SCHEMBL6237757 | 0.77 | — | — | |
| SCHEMBL12082127 | 0.77 | NPC1 (0.43) | — | |
| SCHEMBL28132097 | 0.76 | CHRNB2 (0.46) | — | |
| SCHEMBL9978975 | 0.76 | — | — | |
| SCHEMBL9145129 | 0.76 | ALDH1A1 (0.38) | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101687805-A | Benzazepine derivatives useful as vasopressin antagonists | OTSUKA PHARMA CO LTD | 2010-03-31 | — | — | CN | claimed |
| EP-2139483-A2 | COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | Exelixis, Inc. (US) | 2010-01-06 | — | — | EP | claimed |
| WO-2008127594-A2 | COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS, INC. (US) | 2008-10-23 | — | — | WO | claimed |
| EP-3849981-B1 | PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS | LILLY CO ELI (US) | 2023-02-01 | — | — | EP | disclosed |
| US-20220362396-A1 | AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF | SILVERBACK THERAPEUTICS, INC. | 2022-11-17 | — | — | US | disclosed |
| WO-2020055636-A1 | PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS | ELI LILLY AND COMPANY (US) | 2020-03-19 | — | — | WO | disclosed |
| WO-2018122212-A1 | PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2018-07-05 | — | — | WO | disclosed |
| US-20180094016-A1 | Triazole Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2018-04-05 | — | — | US | disclosed |
| US-20180094016-A1 | Triazole Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2018-04-05 | — | — | US | disclosed |
| EP-1934238-B1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2017-06-28 | — | — | EP | disclosed |
| US-20160031926-A1 | Triazole Compounds and Methods of Making and Using the Same | BioVersys AG (CH) | 2016-02-04 | — | — | US | disclosed |
| US-20040058912-A1 | Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2004-03-25 | — | — | US | disclosed |
| CN-1481380-A | Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists | ������˹ҩƷ��˾ | 2004-03-10 | — | — | CN | disclosed |
| EP-1347967-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002051838-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2002-07-04 | — | — | WO | disclosed |
| WO-2002051232-A2 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2002-07-04 | — | — | WO | disclosed |
| US-6346633-B1 | TERT-AMINOPHENYLESTER OF ACID | ASTRAZENECA AB (SE) | 2002-02-12 | — | — | US | disclosed |
| EP-1064253-A1 | ANTI-TUMOUR AGENTS | AstraZeneca AB (SE) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048857-A1 | ANTI-TUMOUR AGENTS | ASTRAZENECA AB (SE) | 1999-09-30 | — | — | WO | disclosed |
| WO-1997003990-A1 | ISOMER SEPARATION | BIOCHEMIE GESELLSCHAFT MBH (AT) | 1997-02-06 | — | — | WO | disclosed |