⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5227973 | 0.80 | CYP3A4 (0.71) | — | |
| SCHEMBL6184015 | 0.78 | CYP3A4 (0.56) | — | |
| SCHEMBL5224603 | 0.78 | — | — | |
| SCHEMBL5227120 | 0.77 | — | — | |
| SCHEMBL5220829 | 0.76 | CYP3A4 (0.53) | — | |
| SCHEMBL4340158 | 0.75 | CYP3A4 (0.49) | — | |
| SCHEMBL4323916 | 0.75 | CYP3A4 (0.52) | — | |
| SCHEMBL6028331 | 0.74 | CYP3A4 (0.52) | — | |
| SCHEMBL4329615 | 0.74 | CYP3A4 (0.66) | — | |
| SCHEMBL5901697 | 0.74 | CYP3A4 (0.66) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1339701-A1 | HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2003-09-03 | — | — | EP | claimed |
| WO-2002064576-A1 | HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2002-08-22 | — | — | WO | claimed |
| EP-1339701-A1 | HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002064576-A1 | HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2002-08-22 | — | — | WO | disclosed |