⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13864573 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL13864362 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL13864565 | 0.78 | SPHK2 (0.31) | — | |
| SCHEMBL4662877 | 0.76 | SPHK2 (0.33) | — | |
| SCHEMBL6874752 | 0.76 | — | — | |
| SCHEMBL6873726 | 0.74 | FFAR1 (0.32) | — | |
| SCHEMBL4662878 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4664587 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4664460 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4664662 | 0.74 | TSHR (0.36) | — |
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-2011049908-A2 | BISMACROKYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2011-04-28 | — | — | WO | disclosed |