⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6966072 | 0.70 | — | — | |
| Bicarbonate SCHEMBL28062912 | 0.70 | TSHR (0.50) | — | |
| Bicarbonate SCHEMBL28062915 | 0.70 | — | — | |
| SCHEMBL3433788 | 0.69 | — | — | |
| Bicarbonate SCHEMBL28274826 | 0.67 | — | — | |
| Bicarbonate SCHEMBL28129229 | 0.65 | — | — | |
| Acetone SCHEMBL28743216 | 0.61 | LMNA (0.60) | — | |
| Acetone SCHEMBL27500647 | 0.61 | — | — | |
| Bicarbonate SCHEMBL9120029 | 0.59 | — | — | |
| Bicarbonate SCHEMBL5502655 | 0.58 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0104125-B1 | 5,2',3',4',4\",6\"-HEXADEOXYKANAMYCIN AND ITS 1-N-ACYLATED DERIVATIVE | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1986-12-30 | — | — | EP | claimed |
| US-4486419-A | BACTERICIDAL ANTIBIOTICS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1984-12-04 | — | — | US | claimed |
| EP-0104125-A1 | 5,2',3',4',4\",6\"-Hexadeoxykanamycin and its 1-N-acylated derivative | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1984-03-28 | — | — | EP | claimed |
| US-6930104-B2 | Heterocyclic derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-08-16 | — | — | US | disclosed |
| US-20040157850-A1 | Novel heterocyclic derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-12 | — | — | US | disclosed |
| EP-1382598-A1 | NOVEL HETEROCYCLIC DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |
| EP-0104125-B1 | 5,2',3',4',4\",6\"-HEXADEOXYKANAMYCIN AND ITS 1-N-ACYLATED DERIVATIVE | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1986-12-30 | — | — | EP | disclosed |
| US-4486419-A | BACTERICIDAL ANTIBIOTICS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1984-12-04 | — | — | US | disclosed |
| EP-0104125-A1 | 5,2',3',4',4\",6\"-Hexadeoxykanamycin and its 1-N-acylated derivative | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1984-03-28 | — | — | EP | disclosed |
| US-3962443-A | Antibacterial pharmaceutical compositions and processes for preparation thereof | DAINIPPON PHARMACEUTICAL CO., LTD. (JA) | 1976-06-08 | — | — | US | disclosed |