⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27674292 | 0.84 | LMNA (0.44) | — | |
| Benzene SCHEMBL27674226 | 0.79 | LMNA (0.40) | — | |
| SCHEMBL430876 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL14565671 | 0.71 | — | — | |
| SCHEMBL4486364 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL241739 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL3256509 | 0.69 | — | — | |
| SCHEMBL2802607 | 0.67 | — | — | |
| SCHEMBL19155881 | 0.67 | — | — | |
| SCHEMBL21133963 | 0.67 | HDAC7 (0.31) | — |
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-8242130-B2 | Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases | RESVERLOGIX CORP. (CA) | 2012-08-14 | — | — | US | disclosed |
| US-20090259048-A1 | FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES | RESVERLOGIX CORP. (CA) | 2009-10-15 | — | — | US | disclosed |