⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7403422 | 0.83 | — | — | |
| SCHEMBL7402929 | 0.82 | MGLL (0.35) | — | |
| SCHEMBL7403397 | 0.81 | — | — | |
| SCHEMBL7395308 | 0.81 | MLNR (0.33) | — | |
| SCHEMBL7403394 | 0.80 | — | — | |
| SCHEMBL7402224 | 0.80 | MEN1 (0.34) | — | |
| SCHEMBL7400777 | 0.80 | CYP2C9 (0.43) | — | |
| SCHEMBL7405778 | 0.80 | MLNR (0.33) | — | |
| SCHEMBL7402942 | 0.80 | — | — | |
| SCHEMBL7405519 | 0.80 | — | — |
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 2 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 |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |