⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455401 | 1.00 | — | — | |
| SCHEMBL2803632 | 0.78 | THRB (0.33) | — | |
| SCHEMBL6916913 | 0.77 | — | — | |
| SCHEMBL6916917 | 0.77 | — | — | |
| SCHEMBL10041930 | 0.77 | — | — | |
| SCHEMBL335029 | 0.76 | GRIK1 (0.35) | — | |
| SCHEMBL5892077 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL8172310 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL13560395 | 0.74 | TDP1 (0.30) | — | |
| SCHEMBL13560398 | 0.74 | TDP1 (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3920922-A1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | Janssen Biotech, Inc. (US) | 2021-12-15 | — | — | EP | disclosed |
| WO-2020161663-A1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | JANSSEN BIOTECH, INC. (US) | 2020-08-13 | — | — | WO | disclosed |
| CN-104761585-B | The substituted-amino pyrimidine of inhibitor as EGFR tyrosine kinase | 北京轩义医药科技有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-104761544-B | The selective depressant of the important mutant of clinic of EGFR tyrosine kinase | 北京轩义医药科技有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-104761585-A | Substituted aminopyrimidine working as inhibitor of EGFR epidermal growth factor receptor | CS THERAPEUTICS INC | 2015-07-08 | — | — | CN | disclosed |
| CN-104761544-A | Selectivity inhibitor of EGFR tyrosine kinase clinic important mutant | CS THERAPEUTICS INC | 2015-07-08 | — | — | CN | disclosed |
| EP-1954668-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |