⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9572718 | 0.73 | — | — | |
| SCHEMBL18839850 | 0.69 | — | — | |
| SCHEMBL4380620 | 0.69 | — | — | |
| SCHEMBL4380616 | 0.69 | — | — | |
| SCHEMBL1178666 | 0.66 | L3MBTL1 (0.40) | — | |
| SCHEMBL13817401 | 0.65 | CYP19A1 (0.39) | — | |
| SCHEMBL30916052 | 0.59 | CSNK2A1 (0.32) | — | |
| SCHEMBL24527172 | 0.55 | CYP19A1 (0.32) | — | |
| Pyrazine SCHEMBL8159179 | 0.53 | LOXL2 (0.45) | — | |
| Ethylenediamine SCHEMBL5088800 | 0.47 | NFKB1 (0.40) | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971600-B1 | ISOXAZOLE DERIVATIVES AND USE THEREOF | SK BIOPHARMACEUTICALS CO LTD (KR) | 2013-08-21 | — | — | EP | claimed |
| EP-2170876-B1 | PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES | SK HOLDINGS CO LTD (KR) | 2011-12-28 | — | — | EP | claimed |
| US-20110028506-A1 | Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives | SK BIOPHARMACEUTICALS CO., LTD. (KR) | 2011-02-03 | — | — | US | claimed |
| EP-2170876-A2 | PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES | SK Holdings Co., Ltd. (KR) | 2010-04-07 | — | — | EP | claimed |
| US-20090131336-A1 | Isoxazole Derivatives and Use Thereof | SK BIOPHARMACEUTICALS CO., LTD. (KR) | 2009-05-21 | — | — | US | claimed |
| WO-2009005269-A2 | PHARMACEUTICAL COMPOSITION FOR PREVENTINTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES | SK HOLDINGS CO., LTD. (KR) | 2009-01-08 | — | — | WO | claimed |
| EP-1971600-A1 | ISOXAZOLE DERIVATIVES AND USE THEREOF | SK Holdings Co., Ltd. (KR) | 2008-09-24 | — | — | EP | claimed |
| WO-2007078113-A1 | ISOXAZOLE DERIVATIVES AND USE THEREOF | SK HOLDINGS CO., LTD. (KR) | 2007-07-12 | — | — | WO | claimed |
| WO-2024153173-A1 | AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2024-07-25 | — | — | WO | disclosed |
| EP-3778576-B1 | 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME | HANLIM PHARMACEUTICAL CO LTD (KR) | 2024-04-17 | — | — | EP | disclosed |
| US-11299478-B2 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | HANLIM PHARMACEUTICAL CO., LTD. (KR) | 2022-04-12 | — | — | US | disclosed |
| US-20210047301-A1 | 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME | HANLIM PHARMACEUTICAL CO., LTD. (KR) | 2021-02-18 | — | — | US | disclosed |
| EP-3778576-A1 | 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME | Hanlim Pharmaceutical Co., Ltd. (KR) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019190117-A1 | 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME | 한림제약(주) | 2019-10-03 | — | — | WO | disclosed |
| CN-101679395-A | triazolyl aminopyrimidine compounds | LILLY CO ELI | 2010-03-24 | — | — | CN | disclosed |
| EP-2155734-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2010-02-24 | — | — | EP | disclosed |
| US-20090131336-A1 | Isoxazole Derivatives and Use Thereof | SK BIOPHARMACEUTICALS CO., LTD. (KR) | 2009-05-21 | — | — | US | disclosed |
| WO-2008144223-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2008-11-27 | — | — | WO | disclosed |
| EP-1971600-A1 | ISOXAZOLE DERIVATIVES AND USE THEREOF | SK Holdings Co., Ltd. (KR) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007078113-A1 | ISOXAZOLE DERIVATIVES AND USE THEREOF | SK HOLDINGS CO., LTD. (KR) | 2007-07-12 | — | — | WO | disclosed |