⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5015220 | 1.00 | — | — | |
| SCHEMBL199551 | 1.00 | — | — | |
| SCHEMBL15168974 | 1.00 | — | — | |
| SCHEMBL199118 | 0.95 | THRB (0.41) | — | |
| SCHEMBL198579 | 0.95 | THRB (0.41) | — | |
| SCHEMBL1564813 | 0.95 | THRB (0.41) | — | |
| SCHEMBL199064 | 0.95 | THRB (0.41) | — | |
| SCHEMBL199052 | 0.95 | THRB (0.41) | — | |
| SCHEMBL6866130 | 0.85 | — | — | |
| SCHEMBL13515822 | 0.76 | ADH1A (0.33) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2464634-B1 | REGIOSELECTIVE PREPARATION OF 2-AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2016-11-30 | — | — | EP | disclosed |
| US-8933227-B2 | Selective synthesis of functionalized pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-13 | — | — | US | disclosed |
| US-20140213787-A1 | REGIOSELECTIVE PREPARATION OF 2-AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-31 | — | — | US | disclosed |
| US-8729265-B2 | Regioselective preparation of 2-amino-5-trifluoromethylpyrimidine derivatives | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-20 | — | — | US | disclosed |
| US-20130079519-A1 | REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES | DURAN ADIL (DE) | 2013-03-28 | — | — | US | disclosed |
| US-8334383-B2 | Regioselective preparation of substituted pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-18 | — | — | US | disclosed |
| US-20120172596-A1 | REGIOSELECTIVE PREPARATION OF 2-AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-07-05 | — | — | US | disclosed |
| EP-2464634-A1 | REGIOSELECTIVE PREPARATION OF 2 -AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES | Boehringer Ingelheim International GmbH (DE) | 2012-06-20 | — | — | EP | disclosed |
| EP-2464633-A1 | REGIOSELECTIVE PREPARATION OF 2-AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES | Boehringer Ingelheim International GmbH (DE) | 2012-06-20 | — | — | EP | disclosed |
| US-20110190499-A1 | SELECTIVE SYNTHESIS OF FUNCTIONALIZED PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | US | disclosed |
| US-20110077403-A1 | REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-31 | — | — | US | disclosed |
| WO-2011018518-A1 | REGIOSELECTIVE PREPARATION OF 2 -AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-17 | — | — | WO | disclosed |
| WO-2011018517-A1 | REGIOSELECTIVE PREPARATION OF 2-AMINO-5-TRIFLUOROMETHYLPYRIMIDINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-17 | — | — | WO | disclosed |
| EP-2268622-A1 | REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES | Boehringer Ingelheim International GmbH (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009115587-A1 | REGIOSELECTIVE PREPARATION OF SUBSTITUTED PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-24 | — | — | WO | disclosed |