⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2837629 | 0.97 | CTSB (0.31) | — | |
| SCHEMBL6760157 | 0.97 | CTSB (0.31) | — | |
| SCHEMBL2837626 | 0.97 | CTSB (0.31) | — | |
| SCHEMBL8245129 | 0.97 | CTSB (0.31) | — | |
| SCHEMBL8185437 | 0.85 | ADRB3 (0.31) | — | |
| SCHEMBL16628832 | 0.84 | ADRB3 (0.33) | — | |
| SCHEMBL16628833 | 0.84 | ADRB3 (0.33) | — | |
| SCHEMBL12794554 | 0.84 | MEN1 (0.35) | — | |
| SCHEMBL15216165 | 0.84 | CTSB (0.32) | — | |
| SCHEMBL10283465 | 0.84 | 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-20080262058-A1 | Macrocylic Inhibitors of Hepatitis C Virus | JANSSEN SCIENCES IRELAND UC (IE) | 2008-10-23 | — | — | US | disclosed |