⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17695 | 0.97 | — | — | |
| SCHEMBL2575077 | 0.79 | TAAR1 (0.56) | — | |
| SCHEMBL4987538 | 0.73 | SLC11A2 (0.41) | — | |
| SCHEMBL1350555 | 0.73 | LTA4H (0.61) | — | |
| SCHEMBL1352595 | 0.73 | AGXT (0.55) | — | |
| Hydrogen Sulfide SCHEMBL7592179 | 0.72 | ALDH1A1 (0.65) | — | |
| Hydrogen Sulfide SCHEMBL5468201 | 0.72 | ALDH1A1 (0.65) | — | |
| Diphenylmethane SCHEMBL2386917 | 0.72 | CALM1 (0.92) | — | |
| Hydrogen Sulfide SCHEMBL9323294 | 0.72 | ALDH1A1 (0.65) | — | |
| Diphenylmethane SCHEMBL28172073 | 0.72 | CALM1 (0.92) | — |
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 |