⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13780657 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL14019284 | 0.74 | PER2 (0.31) | — | |
| SCHEMBL13780923 | 0.73 | CHRNB2 (0.34) | — | |
| SCHEMBL13780929 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL13780927 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL24648724 | 0.67 | — | — | |
| SCHEMBL7876794 | 0.66 | — | — | |
| SCHEMBL13192811 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL7163613 | 0.63 | CACNA2D1 (0.33) | — | |
| SCHEMBL18938826 | 0.63 | — | — |
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-8759379-B2 | Inhibitors of cytochrome P450 | GILEAD SCIENCES, INC. (US) | 2014-06-24 | — | — | US | disclosed |
| US-20090175820-A1 | INHIBITORS OF CYTOCHROME P450 | GILEAD SCIENCES, INC. (US) | 2009-07-09 | — | — | US | disclosed |