⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14935004 | 0.80 | — | — | |
| SCHEMBL4964109 | 0.77 | — | — | |
| SCHEMBL8704203 | 0.77 | — | — | |
| SCHEMBL2153677 | 0.77 | — | — | |
| SCHEMBL8142478 | 0.74 | — | — | |
| SCHEMBL1923058 | 0.74 | NPC1 (0.31) | — | |
| SCHEMBL5703669 | 0.72 | — | — | |
| SCHEMBL6674907 | 0.72 | TAAR1 (0.33) | — | |
| SCHEMBL18870061 | 0.71 | — | — | |
| SCHEMBL7990529 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4460292-B2 | — | — | 2010-05-12 | — | — | JP | claimed |
| JP-2005509624-A | — | — | 2005-04-14 | — | — | JP | claimed |
| EP-1438053-A1 | PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2004-07-21 | — | — | EP | claimed |
| WO-2003032997-A1 | PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-04-24 | — | — | WO | claimed |
| EP-3472160-A1 | BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2019-04-24 | — | — | EP | disclosed |
| WO-2017216292-A1 | BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-12-21 | — | — | WO | disclosed |
| EP-2332924-A1 | Pyrimidine derivates, medicaments comprising them, their use and process of their preparation | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-06-15 | — | — | EP | disclosed |
| EP-1438053-A1 | PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003032997-A1 | PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-04-24 | — | — | WO | disclosed |