⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13363193 | 1.00 | — | — | |
| SCHEMBL8188558 | 1.00 | — | — | |
| SCHEMBL13363332 | 0.86 | FAP (0.36) | — | |
| SCHEMBL8201674 | 0.86 | FAP (0.36) | — | |
| SCHEMBL13336393 | 0.86 | FAP (0.36) | — | |
| SCHEMBL8193266 | 0.84 | PPIA (0.34) | — | |
| SCHEMBL13284066 | 0.82 | REN (0.31) | — | |
| SCHEMBL13336392 | 0.81 | NAMPT (0.33) | — | |
| SCHEMBL8180607 | 0.81 | NAMPT (0.33) | — | |
| SCHEMBL13573876 | 0.80 | PREP (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 |
|---|---|---|---|---|---|---|---|
| US-20100120716-A1 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR | PHENOMIX CORPORATION (US) | 2010-05-13 | — | — | US | disclosed |