⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4943204 | 0.98 | ALDH1A1 (0.50) | — | |
| SCHEMBL4946659 | 0.98 | ALDH1A1 (0.50) | — | |
| SCHEMBL4941524 | 0.92 | — | — | |
| SCHEMBL4938940 | 0.81 | — | — | |
| SCHEMBL719096 | 0.78 | ALDH1A1 (0.67) | — | |
| SCHEMBL715302 | 0.74 | ALDH1A1 (0.72) | — | |
| SCHEMBL9323936 | 0.74 | ALDH1A1 (0.72) | — | |
| SCHEMBL719520 | 0.74 | ALDH1A1 (0.72) | — | |
| SCHEMBL16341166 | 0.74 | ALDH1A1 (0.72) | — | |
| SCHEMBL1311257 | 0.74 | ALDH1A1 (0.72) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040110729-A1 | Primary N-hydroxylamines | NIH | 2004-06-10 | — | — | US | claimed |
| US-6455589-B1 | AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-09-24 | — | — | US | claimed |
| US-20080268537-A1 | PRIMARY N-HYDROXYLAMINES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-10-30 | — | — | US | disclosed |
| US-6455589-B1 | AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-09-24 | — | — | US | disclosed |