⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23205897 | 0.85 | — | — | |
| SCHEMBL26757905 | 0.77 | — | — | |
| SCHEMBL15680396 | 0.76 | GABRA1 (0.32) | — | |
| SCHEMBL503164 | 0.76 | SELE (0.38) | — | |
| SCHEMBL13971734 | 0.75 | GABRA1 (0.35) | — | |
| SCHEMBL10699821 | 0.74 | NOS3 (0.33) | — | |
| SCHEMBL1660309 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL2324216 | 0.74 | FEN1 (0.30) | — | |
| SCHEMBL8176802 | 0.73 | GABRA1 (0.30) | — | |
| SCHEMBL8718664 | 0.73 | SELE (0.32) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2528903-B1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2016-07-20 | — | — | EP | disclosed |
| US-20160199383-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2016-07-14 | — | — | US | disclosed |
| US-9321771-B2 | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-04-26 | — | — | US | disclosed |
| EP-2528910-B1 | 5-Alkynyl pyrimidines ahd their use as kinase inhibitors. | BOEHRINGER INGELHEIM INT (DE) | 2015-03-18 | — | — | EP | disclosed |
| US-20140073621-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-03-13 | — | — | US | disclosed |
| US-8633183-B2 | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-21 | — | — | US | disclosed |
| US-8618111-B2 | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-12-31 | — | — | US | disclosed |
| EP-2528903-A1 | 5-ALKYNYL-PYRIMIDINES | Boehringer Ingelheim International GmbH (DE) | 2012-12-05 | — | — | EP | disclosed |
| EP-2528910-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2012-12-05 | — | — | EP | disclosed |
| CN-102781923-A | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INT | 2012-11-14 | — | — | CN | disclosed |
| US-20120028952-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | US | disclosed |
| US-20120028958-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | US | disclosed |
| WO-2011092197-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |
| WO-2011092198-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |
| EP-1074546-B1 | 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES | UBE INDUSTRIES (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-6521627-B1 | Insecticidal, acaricidal, nematocidal and fungicidal activities | UBE INDUSTRIES, LTD. (JP) | 2003-02-18 | — | — | US | disclosed |
| EP-1074546-A1 | 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES | Ube Industries, Ltd. (JP) | 2001-02-07 | — | — | EP | disclosed |
| US-5468751-A | Aminopyrimidine derivatives as microbicides, insecticides and acaricides | CIBA-GEIGY CORPORATION (US) | 1995-11-21 | — | — | US | disclosed |
| WO-1993022291-A1 | ARTHROPODICIDAL AND FUNGICIDAL AMINOPYRIMIDINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-11-11 | — | — | WO | disclosed |
| CN-1058776-A | Agricultural chemicals | CIBA GEIGY AG (CH) | 1992-02-19 | — | — | CN | disclosed |