⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8246557 | 0.77 | PER2 (0.40) | — | |
| SCHEMBL8247349 | 0.74 | CRY1 (0.40) | — | |
| SCHEMBL12187724 | 0.72 | CRY1 (0.32) | — | |
| SCHEMBL11930035 | 0.71 | CYP11B1 (0.31) | — | |
| SCHEMBL8271463 | 0.71 | CRY1 (0.43) | — | |
| SCHEMBL14959572 | 0.69 | PER2 (0.35) | — | |
| SCHEMBL13684326 | 0.68 | CRY1 (0.36) | — | |
| SCHEMBL8249897 | 0.67 | PER2 (0.44) | — | |
| SCHEMBL13077662 | 0.66 | KMT2A (0.36) | — | |
| SCHEMBL8249780 | 0.66 | CRY1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006130554-A2 | METHODS OF TREATING HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2006-12-07 | — | — | WO | disclosed |