⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27433499 | 0.96 | — | — | |
| SCHEMBL10590082 | 0.81 | — | — | |
| SCHEMBL11023663 | 0.67 | — | — | |
| SCHEMBL1616856 | 0.67 | — | — | |
| SCHEMBL12511129 | 0.67 | MEN1 (0.40) | — | |
| SCHEMBL10066826 | 0.67 | — | — | |
| SCHEMBL4790355 | 0.67 | — | — | |
| SCHEMBL4790353 | 0.67 | — | — | |
| SCHEMBL14697754 | 0.65 | — | — | |
| SCHEMBL10106230 | 0.65 | — | — |
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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2417113-B1 | PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES | DSM IP ASSETS BV (NL) | 2015-07-15 | — | — | EP | claimed |
| US-8461168-B2 | Process for the preparation of pyrimidine derivatives | DSM IP ASSETS B.V. (NL) | 2013-06-11 | — | — | US | claimed |
| US-20120095230-A1 | PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES | DSM IP ASSETS B.V. (NL) | 2012-04-19 | — | — | US | claimed |
| EP-2417113-A2 | PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES | DSM IP Assets B.V. (NL) | 2012-02-15 | — | — | EP | claimed |
| WO-2010115950-A2 | PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES | DSM IP ASSETS B.V. (NL) | 2010-10-14 | — | — | WO | claimed |
| US-20040106635-A1 | having small-conductance potassium channel (SK) blocking activity | TANABE SEIYAKU CO., LTD. (JP) | 2004-06-03 | — | — | US | claimed |
| EP-1373247-A2 | SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF | TANABE SEIYAKU CO., LTD. (JP) | 2004-01-02 | — | — | EP | claimed |
| WO-2002079189-A2 | SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES | TANABE SEIYAKU CO., LTD. (JP) | 2002-10-10 | — | — | WO | claimed |
| CN-1128024-A | Process for preparing substituted 4, 6-diamino-5-cyanopyrimidines | CIBA GEIGY AG (CH) | 1996-07-31 | — | — | CN | claimed |
| US-5326661-A | Photorefractive polymers containing discrete photoconductive and electrooptical units | HOECHST CELANESE CORP. (US) | 1994-07-05 | — | — | US | claimed |
| EP-0327981-B1 | PROCESS FOR THE PREPARATION OF 2-CYANO-3-AMINOACRYL NITRILE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1992-05-06 | — | — | EP | claimed |
| US-5047570-A | Reacting nitrile with alkanol inpresence of hydrogen halide, then with malodinitrile | BASF AKTIENGESELLSCHAFT (DE) | 1991-09-10 | — | — | US | claimed |
| EP-2417113-B1 | PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES | DSM IP ASSETS BV (NL) | 2015-07-15 | — | — | EP | disclosed |
| US-8658793-B2 | Process for the preparation of pyrimidine derivatives | DSM IP ASSETS B.V. (NL) | 2014-02-25 | — | — | US | disclosed |
| US-20130245263-A1 | PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES | DSM IP ASSETS B.V. (NL) | 2013-09-19 | — | — | US | disclosed |
| US-8461168-B2 | Process for the preparation of pyrimidine derivatives | DSM IP ASSETS B.V. (NL) | 2013-06-11 | — | — | US | disclosed |
| US-3966791-A | Preparation of dialkyl amino acrylonitrile | HOFFMANN-LA ROCHE INC. (US) | 1976-06-29 | — | — | US | disclosed |
| US-3965141-A | Process for producing dialkyl aminoacrylonitrile | HOFFMANN-LA ROCHE INC. (US) | 1976-06-22 | — | — | US | disclosed |
| US-3853946-A | PROCESS FOR THE PREPARATION OF AMINOMETHYLENE MALONONITRILE | HOFFMANN LA ROCHE | 1974-12-10 | — | — | US | disclosed |
| US-3742015-A | PROCESS FOR THE PREPARATION OF AMINOMETHYLENE MALONONITRILE | HOFFMANN LA ROCHE | 1973-06-26 | — | — | US | disclosed |