⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1613983 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5311474 | 0.70 | — | — | |
| SCHEMBL23234323 | 0.70 | — | — | |
| SCHEMBL6513628 | 0.70 | — | — | |
| SCHEMBL28868085 | 0.68 | HSD17B1 (0.32) | — | |
| SCHEMBL28959483 | 0.66 | ESR1 (0.32) | — | |
| SCHEMBL480414 | 0.66 | — | — | |
| SCHEMBL9641452 | 0.65 | — | — | |
| SCHEMBL29044351 | 0.63 | — | — | |
| SCHEMBL28599777 | 0.63 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8759324-B2 | Method of activation of oxazaphosphorines | DUKE UNIVERSITY (US) | 2014-06-24 | — | — | US | claimed |
| US-8399434-B2 | Method of activation of oxazaphosphorines | DUKE UNIVERSITY (US) | 2013-03-19 | — | — | US | claimed |
| US-20140243294-A1 | METHOD OF ACTIVATION OF OXAZAPHOSPHORINES | DUKE UNIVERSITY (US) | 2014-08-28 | — | — | US | disclosed |
| US-8759324-B2 | Method of activation of oxazaphosphorines | DUKE UNIVERSITY (US) | 2014-06-24 | — | — | US | disclosed |
| US-20130172296-A1 | METHOD OF ACTIVATION OF OXAZAPHOSPHORINES | UNIV DUKE (US) | 2013-07-04 | — | — | US | disclosed |
| US-8399434-B2 | Method of activation of oxazaphosphorines | DUKE UNIVERSITY (US) | 2013-03-19 | — | — | US | disclosed |
| US-20120077782-A9 | METHOD OF ACTIVATION OF OXAZAPHOSPHORINES | DUKE UNIVERSITY (US) | 2012-03-29 | — | — | US | disclosed |
| US-20090318388-A1 | METHOD OF ACTIVATION OF OXAZAPHOSPHORINES | DUKE UNIVERSITY (US) | 2009-12-24 | — | — | US | disclosed |
| US-7485721-B2 | Substituted porphyrins | DUKE UNIVERSITY (US) | 2009-02-03 | — | — | US | disclosed |
| US-20080207582-A1 | Substituted Porphyrins | DUKE UNIVERSITY (US) | 2008-08-28 | — | — | US | disclosed |
| WO-2008073195-A2 | METHOD FOR ACTIVATION OF OXAZAPHOSPHORINES | DUKE UNIVERSITY (US) | 2008-06-19 | — | — | WO | disclosed |
| US-20040058902-A1 | Substituted porphyrins | DUKE UNIVERSITY | 2004-03-25 | — | — | US | disclosed |