⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5901443 | 0.74 | POLB (0.46) | — | |
| SCHEMBL5993548 | 0.72 | — | — | |
| SCHEMBL7280306 | 0.70 | LTA4H (0.51) | — | |
| SCHEMBL6193610 | 0.68 | LMNA (0.52) | — | |
| SCHEMBL6028969 | 0.68 | CYP3A4 (0.45) | — | |
| SCHEMBL6192015 | 0.67 | PRKCQ (0.30) | — | |
| SCHEMBL6191510 | 0.66 | PDE3B (0.34) | — | |
| SCHEMBL6192033 | 0.66 | HTR1A (0.42) | — | |
| SCHEMBL6195071 | 0.64 | KDM4E (0.34) | — | |
| SCHEMBL2245769 | 0.63 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| EP-1583751-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CV THERAPEUTICS, INC. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004069818-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CV THERAPEUTICS INC. (US) | 2004-08-19 | — | — | WO | disclosed |