⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1914233 | 0.81 | — | — | |
| SCHEMBL8034329 | 0.79 | — | — | |
| SCHEMBL24651798 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL7926898 | 0.73 | — | — | |
| SCHEMBL1241816 | 0.72 | — | — | |
| Oxalic Acid SCHEMBL9303927 | 0.72 | MAPT (0.45) | — | |
| Iodide SCHEMBL9422924 | 0.69 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL1423725 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL21541293 | 0.69 | — | — | |
| SCHEMBL1040653 | 0.69 | — | — |
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 |
| US-20080268537-A1 | PRIMARY N-HYDROXYLAMINES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-10-30 | — | — | US | disclosed |
| US-7081460-B2 | Quinazoline and quinazoline-like compounds for the treatment of integrin-mediated disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2006-07-25 | — | — | US | disclosed |
| EP-1389205-B1 | QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO MCNEIL PHARMACEUTICAL RE (US) | 2005-12-21 | — | — | EP | disclosed |
| EP-1389205-A1 | QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | Ortho-McNeil Pharmaceutical Research Inc. (US) | 2004-02-18 | — | — | EP | disclosed |
| US-20030139398-A1 | Quinazoline and quinazoline-like compounds for the treatment of integrin-mediated disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-07-24 | — | — | US | disclosed |
| WO-2002081467-A1 | QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2002-10-17 | — | — | WO | 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 |