⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1741972 | 0.83 | — | — | |
| SCHEMBL388062 | 0.78 | — | — | |
| SCHEMBL3694046 | 0.78 | — | — | |
| SCHEMBL12696676 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7488148 | 0.77 | NOS2 (0.47) | — | |
| Hydrochloric Acid SCHEMBL4715841 | 0.77 | SLC6A2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7845217 | 0.77 | SLC6A2 (0.46) | — | |
| Bromide SCHEMBL27569518 | 0.77 | NOS2 (0.47) | — | |
| SCHEMBL5461286 | 0.77 | SSTR4 (0.41) | — | |
| SCHEMBL7320391 | 0.74 | SSTR4 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2389371-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | Neurotherapeutics Pharma, Inc. (US) | 2011-11-30 | — | — | EP | disclosed |
| WO-2010085352-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2010-07-29 | — | — | WO | disclosed |