⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14624491 | 0.93 | — | — | |
| SCHEMBL2630537 | 0.79 | HPGD (0.40) | — | |
| SCHEMBL11502601 | 0.77 | APP (0.41) | — | |
| SCHEMBL2197372 | 0.77 | FAAH (0.43) | — | |
| SCHEMBL635978 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL21690990 | 0.77 | — | — | |
| SCHEMBL21690630 | 0.76 | — | — | |
| SCHEMBL21690862 | 0.76 | — | — | |
| SCHEMBL6493220 | 0.76 | CA2 (0.32) | — | |
| SCHEMBL6831855 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013059265-A1 | A COMPOUND FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-25 | — | — | WO | disclosed |
| US-20090112021-A1 | Preparation of cyclopropyl sulfonylamides | ROCHE PALO ALTO LLC | 2009-04-30 | — | — | US | disclosed |
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |