⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15988363 | 0.64 | — | — | |
| SCHEMBL6446125 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL1938532 | 0.63 | — | — | |
| SCHEMBL15287431 | 0.61 | ACHE (0.31) | — | |
| SCHEMBL999607 | 0.60 | ALDH1A1 (0.34) | — | |
| SCHEMBL7828448 | 0.57 | ACHE (0.31) | — | |
| SCHEMBL6823381 | 0.57 | ACHE (0.31) | — | |
| SCHEMBL7500586 | 0.56 | ALDH1A1 (0.30) | — | |
| SCHEMBL12863895 | 0.54 | GPR35 (0.57) | — | |
| SCHEMBL30362286 | 0.54 | ALDH1A1 (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919898-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | Tibotec Pharmaceuticals Ltd. (IE) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007014922-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-02-08 | — | — | WO | disclosed |