⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1337832 | 0.75 | — | — | |
| SCHEMBL4186366 | 0.73 | — | — | |
| SCHEMBL5932704 | 0.73 | — | — | |
| SCHEMBL7631057 | 0.73 | — | — | |
| SCHEMBL6908399 | 0.73 | — | — | |
| SCHEMBL331292 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1348007 | 0.73 | OPRL1 (0.35) | — | |
| SCHEMBL14391780 | 0.71 | — | — | |
| SCHEMBL567069 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6207567 | 0.71 | OPRL1 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080149097-A1 | Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB | YISSUM RESEARCH DEVELOPMENT COMPANY OF HEBREW UNIVERSITY OF JERUSALEM (IL) | 2008-06-26 | — | — | US | disclosed |
| US-7378438-B2 | Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disorders | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2008-05-27 | — | — | US | disclosed |
| EP-1503754-B1 | BETA-AGONIST COMPOUNDS COMPRISING NITRIC OXIDE DONOR GROUPS AND REACTIVE OXYGEN SPECIES SCAVENGER GROUPS AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISORDERS | YISSUM RES DEV CO (IL) | 2005-11-23 | — | — | EP | disclosed |
| US-20050228184-A1 | Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disorders | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2005-10-13 | — | — | US | disclosed |
| EP-1503754-A1 | BETA-AGONIST COMPOUNDS COMPRISING NITRIC OXIDE DONOR GROUPS AND REACTIVE OXYGEN SPECIES SCAVENGER GROUPS AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISORDERS | Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003088961-A1 | BETA-AGONIST COMPOUNDS COMPRISING NITRIC OXIDE DONOR GROUPS AND REACTIVE OXYGEN SPECIES SCAVENGER GROUPS AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISORDERS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2003-10-30 | — | — | WO | disclosed |