⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29245 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL9615643 | 0.91 | — | — | |
| SCHEMBL29077826 | 0.91 | — | — | |
| SCHEMBL10579749 | 0.91 | — | — | |
| SCHEMBL31413506 | 0.91 | — | — | |
| SCHEMBL7999991 | 0.71 | — | — | |
| SCHEMBL1163749 | 0.68 | — | — | |
| SCHEMBL450667 | 0.68 | — | — | |
| SCHEMBL11227872 | 0.68 | — | — | |
| Carbon Dioxide SCHEMBL7713031 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120301398-A1 | RADIOLABELLED GLUTAMINYL CYCLASE (QC) INHIBITORS AND USES OF SAME | PROBIODRUG AG (DE) | 2012-11-29 | — | — | US | disclosed |
| US-20090234162-A1 | Radioactive Halogen-Labeled Phenyloxyaniline Derivatives | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-09-17 | — | — | US | disclosed |