⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26487771 | 0.79 | EPHX2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL15540415 | 0.77 | EPHX2 (0.36) | — | |
| SCHEMBL20940060 | 0.75 | ESR2 (0.36) | — | |
| SCHEMBL18973735 | 0.71 | — | — | |
| SCHEMBL4849204 | 0.70 | — | — | |
| SCHEMBL19116204 | 0.70 | — | — | |
| SCHEMBL1717640 | 0.69 | EPHX2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL2074512 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL19455992 | 0.68 | — | — | |
| SCHEMBL15522382 | 0.67 | ADH1B (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |