⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7990158 | 1.00 | — | — | |
| SCHEMBL7990590 | 0.86 | — | — | |
| SCHEMBL7999675 | 0.84 | — | — | |
| SCHEMBL7989989 | 0.84 | — | — | |
| SCHEMBL5853646 | 0.82 | TRPV1 (0.32) | — | |
| SCHEMBL5854322 | 0.82 | TRPV1 (0.32) | — | |
| SCHEMBL5854317 | 0.82 | TRPV1 (0.32) | — | |
| SCHEMBL5855522 | 0.82 | TRPV1 (0.32) | — | |
| SCHEMBL5853652 | 0.82 | TRPV1 (0.32) | — | |
| SCHEMBL5855521 | 0.82 | TRPV1 (0.32) | — |
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-2009117594-A1 | FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |