⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8867 | 0.93 | — | — | |
| Propane SCHEMBL586967 | 0.68 | TSHR (0.44) | — | |
| Propane SCHEMBL587355 | 0.68 | — | — | |
| Propane SCHEMBL6752484 | 0.68 | — | — | |
| SCHEMBL9180 | 0.67 | — | — | |
| SCHEMBL7559954 | 0.63 | — | — | |
| Butane SCHEMBL2191959 | 0.62 | — | — | |
| Butane SCHEMBL19947571 | 0.62 | — | — | |
| Butane SCHEMBL7183263 | 0.62 | SLC22A1 (0.46) | — | |
| Butane SCHEMBL2512712 | 0.62 | SLC22A1 (0.46) | — |
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 4 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 | claimed |
| WO-2010085352-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2010-07-29 | — | — | WO | claimed |
| US-20240009153-A1 | BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROPRO THERAPEUTICS, INC. | 2024-01-11 | — | — | US | disclosed |
| US-20220071935-A1 | BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROPRO THERAPEUTICS, INC. | 2022-03-10 | — | — | US | disclosed |