⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13951697 | 0.87 | — | — | |
| SCHEMBL8075358 | 0.81 | CTSB (0.31) | — | |
| SCHEMBL13929757 | 0.75 | CTSB (0.32) | — | |
| SCHEMBL13531207 | 0.74 | GABRA1 (0.31) | — | |
| SCHEMBL13951640 | 0.73 | ADRB3 (0.37) | — | |
| SCHEMBL12368022 | 0.73 | — | — | |
| SCHEMBL12368021 | 0.73 | — | — | |
| SCHEMBL13929764 | 0.71 | — | — | |
| SCHEMBL13929758 | 0.69 | CTSB (0.30) | — | |
| SCHEMBL4215391 | 0.68 | CTSB (0.33) | — |
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-20090047244-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS I | IDENIX PHARMACEUTICALS, INC. (US) | 2009-02-19 | — | — | US | disclosed |