⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7433115 | 0.89 | — | — | |
| SCHEMBL7433110 | 0.89 | — | — | |
| SCHEMBL7445940 | 0.83 | CTSK (0.30) | — | |
| SCHEMBL7445931 | 0.83 | CTSK (0.30) | — | |
| SCHEMBL7436569 | 0.81 | — | — | |
| SCHEMBL7444369 | 0.81 | EPHX1 (0.32) | — | |
| SCHEMBL7444363 | 0.81 | EPHX1 (0.32) | — | |
| SCHEMBL7440801 | 0.80 | CTSK (0.35) | — | |
| SCHEMBL7440790 | 0.80 | CTSK (0.35) | — | |
| SCHEMBL7427926 | 0.80 | ALDH1A1 (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-6187905-B1 | PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES | HOFFMANN-LA ROCHE INC. | 2001-02-13 | — | — | US | disclosed |