⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21618364 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL8358935 | 0.74 | GAA (0.31) | — | |
| SCHEMBL12467963 | 0.67 | — | — | |
| SCHEMBL7741916 | 0.67 | — | — | |
| SCHEMBL250219 | 0.66 | FFAR3 (0.30) | — | |
| SCHEMBL3636946 | 0.63 | FFAR3 (0.36) | — | |
| SCHEMBL8598624 | 0.62 | GAA (0.32) | — | |
| SCHEMBL11561508 | 0.61 | — | — | |
| SCHEMBL5519734 | 0.61 | TSHR (0.35) | — | |
| SCHEMBL17850467 | 0.61 | — | — |
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 1 patent. 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 |