⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16653081 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL188086 | 0.80 | — | — | |
| SCHEMBL9440949 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL391774 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL19209978 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL4764215 | 0.73 | — | — | |
| SCHEMBL6591414 | 0.71 | — | — | |
| SCHEMBL1998584 | 0.71 | — | — | |
| SCHEMBL4723517 | 0.71 | TAAR1 (0.40) | — | |
| SCHEMBL2837058 | 0.70 | TAAR1 (0.42) | — |
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 9 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 |
| CN-103172868-B | Siloxane nitrones and their application | EVONIK INDUSTRIES AG | 2015-05-06 | — | — | CN | disclosed |
| EP-2607437-B1 | Siloxane nitrones and their application | EVONIK INDUSTRIES AG (DE) | 2014-09-03 | — | — | EP | disclosed |
| US-8722836-B2 | Siloxane nitrones and use thereof | EVONIK INDUSTRIES AG (DE) | 2014-05-13 | — | — | US | disclosed |
| US-20130261201-A1 | Siloxane Nitrones and Use Thereof | EVONIK INDUSTRIES AG (DE) | 2013-10-03 | — | — | US | disclosed |
| EP-2607437-A1 | Siloxane nitrones and their application | Evonik Industries AG (DE) | 2013-06-26 | — | — | EP | disclosed |
| 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 |