⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5902247 | 1.00 | — | — | |
| SCHEMBL2466804 | 0.72 | — | — | |
| SCHEMBL16635021 | 0.72 | — | — | |
| SCHEMBL5901602 | 0.68 | — | — | |
| SCHEMBL5901595 | 0.68 | — | — | |
| SCHEMBL28768420 | 0.68 | GABRP (0.35) | — | |
| SCHEMBL3843373 | 0.68 | CYP1A2 (0.30) | — | |
| SCHEMBL21383442 | 0.68 | CYP1A2 (0.30) | — | |
| SCHEMBL12327779 | 0.68 | — | — | |
| SCHEMBL3604676 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7094783-B2 | Bicyclic pyrimidinones as coagulation cascade inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-08-22 | — | — | US | disclosed |
| US-20040006065-A1 | Bicyclic pyrimidinones as coagulation cascade inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-01-08 | — | — | US | disclosed |
| US-6653295-B2 | Protease inhibitor; viricide | BRISTOL-MYERS SQUIBB COMPANY | 2003-11-25 | — | — | US | disclosed |
| US-20030064962-A1 | Inhibitors of hepatitis C virus NS3 protease | BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) | 2003-04-03 | — | — | US | disclosed |
| WO-2002048116-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-06-20 | — | — | WO | disclosed |