⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9812339 | 0.66 | — | — | |
| SCHEMBL28447016 | 0.66 | TLR4 (0.33) | — | |
| SCHEMBL785509 | 0.64 | MAPT (0.36) | — | |
| SCHEMBL3235164 | 0.63 | MAPT (0.35) | — | |
| SCHEMBL21320749 | 0.62 | — | — | |
| SCHEMBL15661377 | 0.62 | TLR4 (0.33) | — | |
| SCHEMBL130772 | 0.60 | TLR4 (0.56) | — | |
| SCHEMBL3628570 | 0.60 | CYP19A1 (0.43) | — | |
| SCHEMBL1711999 | 0.59 | — | — | |
| SCHEMBL5669497 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6169181-B1 | HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS | PHARMACIA & UPJOHN COMPANY | 2001-01-02 | — | — | US | disclosed |
| EP-0758327-A1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |