⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL776336 | 0.76 | KDM4E (0.33) | — | |
| Fluoride SCHEMBL776542 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL17467787 | 0.67 | — | — | |
| Benzene SCHEMBL4866892 | 0.67 | ALOX15 (0.36) | — | |
| SCHEMBL22903815 | 0.67 | — | — | |
| SCHEMBL6113270 | 0.65 | — | — | |
| SCHEMBL14566914 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL12030966 | 0.64 | — | — | |
| SCHEMBL752376 | 0.64 | — | — | |
| SCHEMBL20711107 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230219951-A1 | PYRIDINE-PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2023-07-13 | — | — | US | disclosed |
| US-11236083-B2 | Compounds and pharmaceutical compositions for modulating SGK activity, and methods thereof | Orimos Therapeutics Co., Ltd. (CN) | 2022-02-01 | — | — | US | disclosed |
| US-20210032239-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR MODULATING SGK ACTIVITY, AND METHODS THEREOF | Orimos Therapeutics Co., Ltd. (CN) | 2021-02-04 | — | — | US | disclosed |
| US-20210009630-A1 | CYCLIC DINUCLEOTIDES AS STING AGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2021-01-14 | — | — | US | disclosed |
| EP-1730110-B9 | SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORP (US) | 2011-11-02 | — | — | EP | disclosed |
| EP-1730110-B1 | SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORP (US) | 2010-06-09 | — | — | EP | disclosed |
| WO-2005087731-A1 | SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-09-22 | — | — | WO | disclosed |