⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10215258 | 1.00 | — | — | |
| SCHEMBL5892552 | 0.75 | — | — | |
| SCHEMBL16864726 | 0.74 | — | — | |
| SCHEMBL19629412 | 0.72 | SLC6A4 (0.38) | — | |
| SCHEMBL24904240 | 0.71 | — | — | |
| SCHEMBL22031386 | 0.70 | MAPK1 (0.42) | — | |
| SCHEMBL6857135 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL13989253 | 0.69 | — | — | |
| SCHEMBL1559885 | 0.67 | — | — | |
| SCHEMBL1559880 | 0.67 | — | — |
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-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |