⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL751581 | 0.71 | HDAC8 (0.33) | — | |
| SCHEMBL4618243 | 0.67 | — | — | |
| SCHEMBL5387075 | 0.67 | — | — | |
| SCHEMBL5749226 | 0.67 | — | — | |
| SCHEMBL1429 | 0.67 | — | — | |
| SCHEMBL449154 | 0.67 | — | — | |
| SCHEMBL164914 | 0.67 | — | — | |
| SCHEMBL5042962 | 0.67 | — | — | |
| SCHEMBL1766590 | 0.67 | — | — | |
| SCHEMBL4466845 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-H1838-H | MITICIDES | FMC CORPORATION | 2000-02-01 | — | — | US | claimed |
| US-20060258652-A1 | Beta-blockers having antioxidant and no-donor activity | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2006-11-16 | — | — | US | disclosed |
| WO-2004047837-A2 | BETA-BLOCKERS HAVING ANTIOXIDANT AND NITRIC OXIDE-DONOR ACTIVITY | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2004-06-10 | — | — | WO | disclosed |