⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28310483 | 1.00 | — | — | |
| SCHEMBL360079 | 1.00 | — | — | |
| SCHEMBL10517267 | 0.83 | — | — | |
| SCHEMBL7067973 | 0.80 | — | — | |
| SCHEMBL13957201 | 0.77 | SIGMAR1 (0.31) | — | |
| SCHEMBL3436917 | 0.76 | — | — | |
| SCHEMBL24488710 | 0.74 | — | — | |
| SCHEMBL724119 | 0.74 | — | — | |
| SCHEMBL18408650 | 0.74 | — | — | |
| SCHEMBL13892566 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2562164-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011078369-A1 | NOVEL ARYL UREA DERIVATIVE | 持田製薬株式会社 (JP) | 2011-06-30 | — | — | WO | disclosed |
| CN-101421256-A | Thiadiazolidinone inhibitors of ptpase | NOVARTIS AG (CH) | 2009-04-29 | — | — | CN | disclosed |
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |
| EP-1813611-A1 | 1-SUBSTITUTED-3- BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME | Kissei Pharmaceutical Co., Ltd. (JP) | 2007-08-01 | — | — | EP | disclosed |