⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10794437 | 0.80 | — | — | |
| SCHEMBL2572875 | 0.80 | — | — | |
| SCHEMBL10794431 | 0.80 | — | — | |
| SCHEMBL10950380 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL10950373 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL3837539 | 0.77 | — | — | |
| SCHEMBL1658556 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL1658557 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL7989990 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL11096588 | 0.74 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009117594-A1 | FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009064975-A1 | QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-05-22 | — | — | WO | disclosed |