⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL618855 | 0.66 | — | — | |
| SCHEMBL82843 | 0.65 | — | — | |
| SCHEMBL617265 | 0.64 | CYP3A4 (0.32) | — | |
| SCHEMBL87312 | 0.64 | CYP3A4 (0.32) | — | |
| SCHEMBL618235 | 0.64 | ADRA1D (0.33) | — | |
| Hydrochloric Acid SCHEMBL572769 | 0.62 | CYP3A4 (0.31) | — | |
| Bromide SCHEMBL1045354 | 0.62 | CYP3A4 (0.31) | — | |
| Iodide SCHEMBL2341578 | 0.62 | CYP3A4 (0.31) | — | |
| SCHEMBL620009 | 0.62 | — | — | |
| SCHEMBL9352170 | 0.62 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050245563-A1 | Chk-1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-11-03 | — | — | US | claimed |
| WO-2005028474-A2 | PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | claimed |
| US-10202388-B2 | Fused-ring compounds, pharmaceutical composition and uses thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2019-02-12 | — | — | US | disclosed |
| US-9914724-B2 | C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2018-03-13 | — | — | US | disclosed |
| US-20180022752-A1 | FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2018-01-25 | — | — | US | disclosed |
| EP-3259272-A1 | FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2017-12-27 | — | — | EP | disclosed |
| EP-3133071-A1 | C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF | Shanghai De Novo Pharmatech Co Ltd. (CN) | 2017-02-22 | — | — | EP | disclosed |
| US-20170037038-A1 | C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF | SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) | 2017-02-09 | — | — | US | disclosed |
| WO-2016173493-A1 | SULFONYLAMINOCARBONYL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USES THEREOF | SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) | 2016-11-03 | — | — | WO | disclosed |
| WO-2016131380-A1 | FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF | SHANGHAI DE NOVO PHARMATECH CO.,LTD. (CN) | 2016-08-25 | — | — | WO | disclosed |
| WO-2016131381-A1 | FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF | SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) | 2016-08-25 | — | — | WO | disclosed |
| US-20050245563-A1 | Chk-1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-11-03 | — | — | US | disclosed |
| WO-2005028474-A2 | PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |