⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7048958 | 1.00 | — | — | |
| SCHEMBL21921943 | 0.91 | — | — | |
| SCHEMBL20192181 | 0.91 | — | — | |
| SCHEMBL683416 | 0.88 | NFE2L2 (0.39) | — | |
| SCHEMBL16106998 | 0.84 | — | — | |
| SCHEMBL15304489 | 0.84 | DAO (0.30) | — | |
| SCHEMBL15227012 | 0.84 | — | — | |
| SCHEMBL15227432 | 0.81 | — | — | |
| SCHEMBL15227499 | 0.81 | NFE2L2 (0.31) | — | |
| SCHEMBL26379275 | 0.81 | — | — |
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-2009134616-A2 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-05 | — | — | WO | disclosed |