⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20739934 | 0.81 | — | — | |
| SCHEMBL30229716 | 0.74 | — | — | |
| SCHEMBL6718290 | 0.74 | — | — | |
| SCHEMBL2493955 | 0.74 | — | — | |
| SCHEMBL2492265 | 0.72 | — | — | |
| SCHEMBL503147 | 0.71 | — | — | |
| SCHEMBL760970 | 0.70 | — | — | |
| SCHEMBL503157 | 0.70 | — | — | |
| SCHEMBL6719975 | 0.70 | — | — | |
| SCHEMBL31032243 | 0.70 | — | — |
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 14 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 |