⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5395510 | 1.00 | — | — | |
| SCHEMBL6599897 | 1.00 | — | — | |
| SCHEMBL28932232 | 0.93 | PARP10 (0.35) | — | |
| SCHEMBL31026715 | 0.91 | EPHX1 (0.34) | — | |
| SCHEMBL8693124 | 0.86 | — | — | |
| SCHEMBL6908462 | 0.82 | POLB (0.34) | — | |
| SCHEMBL2988371 | 0.81 | — | — | |
| SCHEMBL242415 | 0.79 | — | — | |
| SCHEMBL14398568 | 0.79 | — | — | |
| SCHEMBL28000893 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7179918-B2 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | AGOURON PHARMACEUTICALS, INC. (US) | 2007-02-20 | — | — | US | disclosed |
| US-20070021354-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | CANAN KOCH STACIE S | 2007-01-25 | — | — | US | disclosed |
| US-7094909-B2 | Reacting an amide compound containing hydroxy and a carboxyl group and having benzene ring, with a halogenated alkyl aminocarbonyl-pyrrolidine with 2-fluoro groups substituted at the ring carbon, by amindation of amine and carboxyl group | AGOURON PHARMACEUTICALS, INC. (US) | 2006-08-22 | — | — | US | disclosed |
| US-20040204591-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | AGOURON PHARMACEUTICALS, INC. | 2004-10-14 | — | — | US | disclosed |
| EP-1409466-A2 | HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS | AGOURON PHARMACEUTICALS, INC. (US) | 2004-04-21 | — | — | EP | disclosed |
| US-20030225071-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | PFIZER INC. | 2003-12-04 | — | — | US | disclosed |
| WO-2002100844-A2 | HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS | AGOURON PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |