⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14724918 | 1.00 | — | — | |
| SCHEMBL17355065 | 0.79 | — | — | |
| SCHEMBL12320547 | 0.77 | — | — | |
| SCHEMBL7991916 | 0.77 | — | — | |
| SCHEMBL18976779 | 0.77 | — | — | |
| SCHEMBL14220159 | 0.76 | — | — | |
| SCHEMBL10282883 | 0.76 | — | — | |
| SCHEMBL13651399 | 0.76 | — | — | |
| SCHEMBL14724799 | 0.76 | — | — | |
| SCHEMBL13887261 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3009426-B1 | 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT | KAKEN PHARMA CO LTD (JP) | 2018-05-02 | — | — | EP | disclosed |
| EP-2562167-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-2562161-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-2562175-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-2562165-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2012082618-A2 | METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES | IMMUNOMEDICS, INC. (US) | 2012-06-21 | — | — | WO | disclosed |