⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13531195 | 0.86 | CTSB (0.32) | — | |
| SCHEMBL12368021 | 0.84 | — | — | |
| SCHEMBL12368022 | 0.84 | — | — | |
| SCHEMBL13531207 | 0.79 | GABRA1 (0.31) | — | |
| SCHEMBL13531204 | 0.76 | ADRB3 (0.30) | — | |
| SCHEMBL13951697 | 0.73 | — | — | |
| SCHEMBL13530914 | 0.70 | CTSB (0.31) | — | |
| SCHEMBL15216165 | 0.69 | CTSB (0.32) | — | |
| SCHEMBL10283470 | 0.69 | CTSB (0.32) | — | |
| SCHEMBL10283465 | 0.69 | CTSB (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 |
|---|---|---|---|---|---|---|---|
| US-8003659-B2 | Macrocyclic serine protease inhibitors | INDENIX PHARMACEUTICALS, INC. (US) | 2011-08-23 | — | — | US | disclosed |