⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3715895 | 0.70 | — | — | |
| SCHEMBL2783554 | 0.61 | — | — | |
| SCHEMBL25910760 | 0.61 | — | — | |
| SCHEMBL9352345 | 0.61 | CYP2D6 (0.53) | — | |
| SCHEMBL9352353 | 0.61 | CYP2D6 (0.53) | — | |
| SCHEMBL5010024 | 0.60 | — | — | |
| SCHEMBL15149517 | 0.60 | — | — | |
| SCHEMBL6597668 | 0.60 | — | — | |
| SCHEMBL7845282 | 0.59 | — | — | |
| SCHEMBL6242999 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3478284-B1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | UNIV CALIFORNIA (US) | 2023-10-04 | — | — | EP | claimed |
| US-11560356-B2 | Compounds and compositions for the treatment of cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-01-24 | — | — | US | claimed |
| JP-2011525487-A | — | — | 2011-09-22 | — | — | JP | claimed |
| EP-2321301-A1 | NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2011-05-18 | — | — | EP | claimed |
| WO-2009157860-A1 | NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2009-12-30 | — | — | WO | claimed |
| CN-118359584-A | Dihydropyrazoles and their use | 中国药科大学 | 2024-07-19 | — | — | CN | disclosed |
| US-11560356-B2 | Compounds and compositions for the treatment of cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-01-24 | — | — | US | disclosed |
| CN-109661229-B | Compounds and compositions for the treatment of cancer | 加利福尼亚大学董事会 | 2022-06-28 | — | — | CN | disclosed |
| CN-114044800-A | Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders | 艾其林医药公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-108024992-A | Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders | 艾其林医药公司 | 2018-05-11 | — | — | CN | disclosed |
| US-8119673-B2 | Compounds 148 | ASTRAZENECA AB (SE) | 2012-02-21 | — | — | US | disclosed |
| US-20110130432-A1 | Heterocyclic Carboxamides For Use As Thrombin Inhibitors | ASTRAZENECA AB (SE) | 2011-06-02 | — | — | US | disclosed |
| EP-2321301-A1 | NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2009157860-A1 | NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2009-12-30 | — | — | WO | disclosed |
| US-20090318517-A1 | Novel Compounds 148 | ASTRAZENECA AB (SE) | 2009-12-24 | — | — | US | disclosed |
| CN-1130377-A | Cyclic amide derivatives | OTSUKA PHARMA CO LTD (JP) | 1996-09-04 | — | — | CN | disclosed |